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• [2,2'-Binaphthalene]-8,8'-dicarboxaldehyde,1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (2R)-
IUPAC Name: 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde | CAS Registry Number: 90141-22-3
Synonyms: gossypol, (-)-Gossypol, (+)-Gossypol, 303-45-7, Tash 1, Pogosin, racemic-Gossypol, (+-)-Gossypol, (+/-)-Gossypol, AT101, NSC56817, CCRIS 2689, NSC 56817, NSC624336, NSC 624336, BRN 1917878, NCGC00016423-03, CAS-303-45-7, ST065835, AI3-22957

Molecular Formula: C30H30O8Molecular Weight: 518.554400 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: QBKSWRVVCFFDOT-UHFFFAOYSA-N

• (E)-2-cyano-3-(4-hydroxy-3,5-diisopropylphenyl)-N-(3-phenylpropyl)acrylamide
IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide | CAS Registry Number: 168835-82-3
Synonyms: su1498, Tyrphostin SU 1498, CHEMBL261508, (E)-2-CYANO-3-(4-HYDROXY-3,5-DIISOPROPYLPHENYL)-N-(3-PHENYLPROPYL)ACRYLAMIDE, (E)-3-(3,5-Diisopropyl-4-hydroxyphenyl)-2-[(3-phenyl-n-propyl)amino-carbonyl]acrylonitrile, SU-1498, BiomolKI_000063, BiomolKI2_000069, AC1NZT42, SureCN1371456, BMK1-G3, T4192_SIGMA, MolPort-003-959-729, HSCI1_000101, AKOS016004870, CCG-100667, NCGC00163388-01, AK102549, KB-02426, BRD-K34995470-001-03-1

Molecular Formula: C25H30N2O2Molecular Weight: 390.517900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JANPYFTYAGTSIN-FYJGNVAPSA-N

• 9H-FLUORENE-2,7-DICARBOXAMIDE, 9-OXO-N,N'-BIS(3-PHENYLPROPYL)-
IUPAC Name: 9-oxo-2-N,7-N-bis(3-phenylpropyl)fluorene-2,7-dicarboxamide | CAS Registry Number: 443794-40-9
Synonyms: SureCN4158879, CTK1C7933, DNC001000, N-bis-(3-phenyl-propyl)9-oxo-fluorene-2,7-diamide, 9H-Fluorene-2,7-dicarboxamide, 9-oxo-N,N'-bis(3-phenylpropyl)-

Molecular Formula: C33H30N2O3Molecular Weight: 502.602900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OKGPGSVMCACUID-UHFFFAOYSA-N

• 3-DEAZANEPLANOCIN
IUPAC Name: (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol | CAS Registry Number: 102052-95-9
Synonyms: c^Neplanocin A, DZNep, 3-Deazaneplanocin, 3-Deaza-neplanocin, 3-Deazaneplanocin A, 3-Deazaneplanocin-A, CHEBI:359998, AIDS032965, AIDS-032965, AVS-4275, CID73087, NSC617989 (HYDROCHLORIDE), (-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine, (1S,2R,5R)-5-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol, 3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo(4,5-c)pyridiny-1-yl)-3-(hydroxymethyl)-, (1S-(alpha,2alpha,5beta))-

Molecular Formula: C12H14N4O3Molecular Weight: 262.264560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: OMKHWTRUYNAGFG-IEBDPFPHSA-N

• 6-[4-(2-Piperidin-1-Ylethoxy)Phenyl]-3-Pyridin-4-Ylpyrazolo[1,5-A]Pyrimidine
IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | CAS Registry Number: 866405-64-3
Synonyms: dorsomorphin, Compound C, AMPK Inhibitor, Compound C, BML-275, 6-(4-(2-(Piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine, InSolution™ AMPK Inhibitor, Compound C, 6-[4-(2-Piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine, 6-[4-(2-Piperidin-1-yl-ethoxy)-phenyl)]-3-pyridin-4-yl-pyrrazolo[1,5-a]-pyrimidine, AMPK Inhibitor, SureCN463155, AGN-PC-00AUR7, P5499_SIGMA, BML275, CHEMBL478629, QCR-60, CTK5J7339, CHEBI:589620, HMS3229A20, ANW-67560

Molecular Formula: C24H25N5OMolecular Weight: 399.488200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XHBVYDAKJHETMP-UHFFFAOYSA-N

• 8-pCPT-2-O-Me-cAMP-AM (007-AM) (8-(4-Chlorophenylthio)-2''-O-methylad enosine-3'',5''-cyclic monophosphate acetoxymethyl ester)
IUPAC Name: [(4aR,6R,7R,7aR)-6-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl acetate | CAS Registry Number: 1152197-23-3
Synonyms: 8-CPT-AM, 8-pCPT-2-O-Me-cAMP-AM, 007-AM, AKOS024458377, 8-(4-Chlorophenylthio)-2'-O-methyladenosine-3',5'-cyclic monophosphate acetoxymethyl ester

Molecular Formula: C20H21ClN5O8PSMolecular Weight: 557.901202 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 13

InChIKey: FZMWUFYPEVDWPA-SILPBKOMSA-N

• 6-Fluoro-N-(4-fluorobenzyl)quinazolin-4-amine
IUPAC Name: 6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine | CAS Registry Number: 1262888-28-7
Synonyms: Spautin 1, MLS006010730, SCHEMBL1068401, CHEMBL2391504, MolPort-008-958-388, AKOS016367939, MCULE-4088585655, NCGC00263555-02, AK161228, SMR004701692, AJ-104140, ST24045383, 6-Fluoro-N-[(4-Fluorophenyl)methyl]-4-quinazolinamine

Molecular Formula: C15H11F2N3Molecular Weight: 271.264746 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AWIVHRPYFSSVOG-UHFFFAOYSA-N

• 1-Methyl-D-tryptophan
IUPAC Name: (2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid | CAS Registry Number: 110117-83-4
Synonyms: D-1MT, 452483_ALDRICH, NSC721782, NSC-721782, SMP2_000028

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZADWXFSZEAPBJS-SNVBAGLBSA-N

• 1-[4-(2-CHLOROPHENYL)-6,7-DIMETHYL-(QUINOLIN-3-YL)]-3-(2,4-DIFLUOROPHENY L)UREA
IUPAC Name: 1-[4-(2-chlorophenyl)-6,7-dimethylquinolin-3-yl]-3-(2,4-difluorophenyl)urea | CAS Registry Number: 128831-46-9
Synonyms: CDQDU, Tmp 153, CHEBI:200901, CID125289, 1-[4-(2-Chloro-phenyl)-6,7-dimethyl-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea, N-(4-(2-Chlorophenyl)-6,7-dimethyl-3-quinolinyl)-N'-(2,4-difluorophenyl)urea, N-(4-(2-Chlorophenyl)-6,7-dimethyl-3-quinolyl)-N'-(2,4-difluorophenyl)urea, Urea, N-(4-(2-chlorophenyl)-6,7-dimethyl-3-quinolinyl)-N'-(2,4-difluorophenyl)-

Molecular Formula: C24H18ClF2N3OMolecular Weight: 437.869026 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FFKNNBNIAHVVCU-UHFFFAOYSA-N

• 1,9-Pyrazoloanthrone
Synonyms: Pyrazolanthrone, Pyrazoleanthrone, Anthrapyrazolone, 1pmv, JNK Inhibitor II, SAPK Inhibitor II, Tocris-1496, BiomolKI_000068, Lopac-S-5567, BiomolKI2_000072, Anthra[1,9-cd]pyrazol-6(2H)-one, CBiol_002049, Lopac0_000473, Anthra-1,9-pyrazol-6-none, BSPBio_001066, KBioGR_000406, KBioSS_000406, MLS002153267, Bio-0879, S5567_SIGMA

Molecular Formula: C14H8N2OMolecular Weight: 220.226120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ACPOUJIDANTYHO-UHFFFAOYSA-N

• 8-?hydroxy-?5-?quinolinecarboxylic acid
IUPAC Name: 8-hydroxyquinoline-5-carboxylic acid | CAS Registry Number: 5852-78-8
Synonyms: IOX1, 8-Hydroxy-5-quinolinecarboxylic acid, 5-Carboxy-8-hydroxyquinoline, CHEMBL1230640, 8-Hydroxyquinoline-5-Carboxylic Acid, 8XQ, AC1LA0UV, UNII-JM015YQC1C, SureCN6068195, IOX-1, MLS002729056, CTK1E0142, 5-Quinolinecarboxylic acid, 8-hydroxy-, NCGC00183784-01, NCGC00183784-02, NCGC00183784-03, NCGC00183784-04, SMR001600570

Molecular Formula: C10H7NO3Molecular Weight: 189.167480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JGRPKOGHYBAVMW-UHFFFAOYSA-N

• N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide
IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide | CAS Registry Number: 686770-61-6
Synonyms: IWP-2, CHEMBL1257064, F0579-0037, AC1M1SDF, CTK8F0084, MolPort-003-028-346, NSC753606, ZINC02719689, CCG-208106, MCULE-7176534795, NSC-753606, NCGC00347948-01, KB-107796, EU-0088954, FT-0670578, AB00668695-01, N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide, N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]acetamide, N-(6-methylbenzo[d]thiazol-2-yl)-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide

Molecular Formula: C22H18N4O2S3Molecular Weight: 466.598920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: WRKPZSMRWPJJDH-UHFFFAOYSA-N

• 2-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)-N-(4-ISOPROPYLPHENYL)ACETAMIDE
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide | CAS Registry Number: 349085-38-7
Synonyms: HC-030031, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide, ZINC00898145, HC030031, HC 030031, AC1LM9D6, SureCN1064155, Oprea1_280240, Oprea1_427263, CHEMBL1086310, STOCK2S-59378, CTK4H3225, CHEBI:731384, MolPort-001-510-951, STK096101, AKOS001460528, AG-F-19813, CS-1040, MCULE-9547297783, QC-7693

Molecular Formula: C18H21N5O3Molecular Weight: 355.391040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HEQDZPHDVAOBLN-UHFFFAOYSA-N

• 4-(2-methyl-4-pyridinyl)-n-(4-(3-pyridinyl)phenyl)benzeneacetamide
IUPAC Name: 2-[4-(2-methylpyridin-4-yl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide | CAS Registry Number: 1243243-89-1
Synonyms: Wnt-C59, SureCN1724609, Wnt-C59 (C59), CS-1420, QC-8389, NCGC00263085-01, KB-02362, Wnt-C59|1243243-89-1|C59, S7037,C59,1243243-89-1, 2-(4-(2-methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide

Molecular Formula: C25H21N3OMolecular Weight: 379.453740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KHZOJCQBHJUJFY-UHFFFAOYSA-N

• 2-?methyl-?1-?[(2-?methyl-?5-?nitrophenyl)sulfonyl]-?1H-?benzimidazole
IUPAC Name: 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole | CAS Registry Number: 93987-29-2
Synonyms: bi-6015, BI 6015, ST50809539, 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole, 2-methyl-1-[(2-methyl-5-nitrophenyl)sulfonyl]-1H-benzimidazole, AC1MMZZ6, Oprea1_167294, GTPL6695, SCHEMBL3470522, MolPort-005-954-167, BI6015, STL305202, ZINC06234214, AKOS002285545, MCULE-6311448645, KB-271532, 1-methyl-2-[(2-methylbenzimidazolyl)sulfonyl]-4-nitrobenzene

Molecular Formula: C15H13N3O4SMolecular Weight: 331.346420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ILVCPQPMRPHZSG-UHFFFAOYSA-N

• 2-Chloro-N-[4-Chloro-3-(2-Pyridinyl)phenyl]-4-(methylsulfonyl)Benzamide
IUPAC Name: 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide | CAS Registry Number: 879085-55-9
Synonyms: Vismodegib, Erivedge, GDC-0449, HhAntag691, GDC0449, GDC 0449, 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide, UNII-25X868M3DS, CHEBI:66903, 2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide, GDC-0449, GDC0449, GDC 0449, 879085-55-9, 2-chloro-N-(4-chloro-3-pyridin-2-yl-phenyl)-4-methanesulfonyl-benzamide, HhAntag691, GDC0449, Vismodegib, GDC-0449, vismodegibum, HhAntag, 2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide, 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide, Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)-, BENZAMIDE, 2-CHLORO-N-[4-CHLORO-3-(2-PYRIDINYL)PHENYL]-4-(METHYLSULFONYL)-, Erivedge (TN)

Molecular Formula: C19H14Cl2N2O3SMolecular Weight: 421.297060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-N

• 1,1'-((METHYLETHANEDIYLIDENE)DINITRILO)BISGUANIDINE 2HCL DIHYDRATE
IUPAC Name: 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine;dihydrate;dihydrochloride | CAS Registry Number: 31959-87-2
Synonyms: NSC 32946, 1,1'-(Methylethanedilidenedinitrilo)biguanidine dihydrochloride dihydrate, Guanidine, 1,1'-((methylethanediylidene)dinitrilo)bis-, dihydrochloride, dihydrate, Hydrazinecarboximidamide, 2,2'-(1-methyl-1.2-ethanediylidene)bis-, dihydrochloride, dihydrate, LS-73787

Molecular Formula: C5H18Cl2N8O2Molecular Weight: 293.154820 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 6

InChIKey: WTJBHEZHUNHLJR-RRFWXCNOSA-N

• 2-Chloro-5-Nitro-N-Phenylbenzamide
IUPAC Name: 2-chloro-5-nitro-N-phenylbenzamide | CAS Registry Number: 22978-25-2
Synonyms: 2-Chloro-5-nitrobenzanilide, GW9662, Tocris-1508, Spectrum5_001989, Lopac-M-6191, Lopac0_000798, BSPBio_001021, KBioGR_000361, KBioSS_000361, MLS001056751, 2-Chloro-5-nitro-N-phenylbenzamide, M6191_SIGMA, 642355_ALDRICH, BCBcMAP01_000086, KBio2_000361, KBio2_002929, KBio2_005497, KBio3_000701, KBio3_000702, CHEBI:479948

Molecular Formula: C13H9ClN2O3Molecular Weight: 276.675160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DNTSIBUQMRRYIU-UHFFFAOYSA-N

• 3-QUINOLINECARBOXYLIC ACID,1,2-DIHYDRO-4-CHLORO-1-METHYL-2-OXO-,ETHYL ESTER
IUPAC Name: ethyl 4-chloro-1-methyl-2-oxoquinoline-3-carboxylate | CAS Registry Number: 75483-04-4
Synonyms: Bionet2_001311, Oprea1_392373, Oprea1_441797, STOCK1S-64587, BRN 0412574, MolPort-000-733-154, HMS1367L13, CID606180, STK832596, ZINC00158307, LS-141543, 5-22-06-00291 (Beilstein Handbook Reference), 3-Quinolinecarboxylic acid, 1,2-dihydro-4-chloro-1-methyl-2-oxo-, ethyl ester, 4-Chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid ethyl ester, ethyl 4-chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate, InChI=1/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H

Molecular Formula: C13H12ClNO3Molecular Weight: 265.692280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XUJQDJGGHFNYDY-UHFFFAOYSA-N

• 2-chloro-n-[4-[4-[(2-chloroacetyl)amino]phenyl]sulfonylphenyl]acetamide
IUPAC Name: 2-chloro-N-[4-[4-[(2-chloroacetyl)amino]phenyl]sulfonylphenyl]acetamide | CAS Registry Number: 17328-16-4
Synonyms: NSC30176, CHEMBL1797447, NSC 30176, BRN 2180613, Sulfone, bis((4-chloroacetylamino)phenyl), 4',4'''-Sulfonylbis(beta-chloracetanilide), AC1L3CUF, SureCN10996832, CTK8H2526, NSC-30176, Acetanilide,4'''-sulfonylbis[2-chloro-, LS-147964, Acetanilide, 4',4'''-sulfonylbis(2-chloro-, 4',4'''-Sulfonylbis(.beta.-chloracetanilide), Acetamide,N'-(sulfonyldi-4,1-phenylene)bis[2-chloro-, Acetanilide, 4',4'''-sulfonylbis(2-chloro- (8CI), Acetamide, N,N'-(sulfonyldi-4,1-phenylene)bis(2-chloro-, N,N'-(sulfonyldibenzene-4,1-diyl)bis(2-chloroacetamide), N,N'-[Sulfonylbis(4,1-phenylene)]bis(2-chloroacetamide), Acetamide, N,N'-(sulfonyldi-4,1-phenylene)bis(2-chloro- (9CI)

Molecular Formula: C16H14Cl2N2O4SMolecular Weight: 401.264360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SHRCVZJKZJGIHQ-UHFFFAOYSA-N

• (Z)-1-[N-(3-AMINOPROPYL)-N-(N-PROPYL)AMINO]DIAZEN-1-IUM-1,2-DIOLATE
IUPAC Name: N-[3-aminopropyl(propyl)amino]-N-hydroxynitrous amide | CAS Registry Number: 146672-58-4
Synonyms: PAPA NONOate, NOC-15, NSC634220, MolPort-006-822-677, AIDS135048, AIDS-135048, CID366046, N-propylpropaneciamine Nitric Oxide Adduct, NCI60_011383, 1-(3-Aminopropyl)-3-hydroxy-1-propyltriazane 2-oxide, 1-Hydroxy-2-oxo-3-(3-aminopropyl)-3-propyl-1-triazene

Molecular Formula: C6H16N4O2Molecular Weight: 176.216840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: CXQCOPWRDNFJDZ-UHFFFAOYSA-N

• 20alpha-Hydroxycholesterol
IUPAC Name: (3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 516-72-3
Synonyms: 20-hydroxycholesterol, CID440711, LMST01010211, DB04704, (3BETA,20R)-CHOLEST-5-ENE-3,20-DIOL, C05500, HC2, (3S,8S,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MCKLJFJEQRYRQT-MGNSQDQZSA-N

• 2-Amino-7-furan-2-yl-7,8-dihydro-6H-quinazolin-5-one
IUPAC Name: propyl 7-(3,4-dimethoxyphenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate | CAS Registry Number: 299442-43-6
Synonyms: GNF-Pf-5668, ST50009781, SJ000025081, BAS 01547495, AC1MJ79A, NKY80, Oprea1_616933, Oprea1_633811, CHEMBL579338, CHEMBL602521, MolPort-000-906-806, STK081142, AKOS000537713, MCULE-1174085014, EU-0010235, AG-690/40696399, 2-Amino-7-(2-furanyl)-7,8-dihydro-5(6H)-quinazolinone, 421571-66-6, 7-(3,4-Dimethoxyphenyl)-4-(2-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-3-quinolinecarboxylic acid propyl ester, propyl 7-(3,4-dimethoxyphenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

Molecular Formula: C28H30FNO5Molecular Weight: 479.539903 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: JYAOIVVCGRSAFZ-UHFFFAOYSA-N

• 5-(4-(((5-methyl-2-furanyl)methyl)amino)-6-quinazolinyl)-2-furanmethanol
IUPAC Name: [5-[4-[methyl-(5-methylfuran-2-yl)amino]quinazolin-6-yl]furan-2-yl]methanol | CAS Registry Number: 1285702-20-6
Synonyms: SureCN1675230, QC-10172, (5-(4-(methyl(5-methylfuran-2-yl)amino)quinazolin-6-yl)furan-2-yl)methanol

Molecular Formula: C19H17N3O3Molecular Weight: 335.356580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: STBPLRTXXJJXLR-UHFFFAOYSA-N

• β-Cyclopentyl-4-(7H-Pyrrolo[2,3-D]pyrimidin-4-Yl)-(βR)-1H-Pyrazole-1-Propanenitrile
IUPAC Name: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile | CAS Registry Number: 941678-49-5
Synonyms: Ruxolitinib, INCB-018424, INCB018424, UNII-82S8X8XX8H, CHEBI:66919, Ruxolitinib, 941678-49-5, INCB 018424, (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile, ?-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(?R)-1H-pyrazole-1-propanenitrile, Ruxolitinib [INN], S1378_Selleck, Ruxolitinib (USAN/INN), Ruxolitinib [USAN:INN], INCB18424,Ruxolitinib, SureCN171319, INCB424, cc-189, 82S8X8XX8H, INCB018424 (Ruxolitinib), INCB018424 - Ruxolitinib

Molecular Formula: C17H18N6Molecular Weight: 306.365020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HFNKQEVNSGCOJV-OAHLLOKOSA-N

• 4-Iodo-3-nitro-benzamide
IUPAC Name: 4-iodo-3-nitrobenzamide | CAS Registry Number: 160003-66-7
Synonyms: 4-iodo-3-nitro-benzamide, CID9796068, EN002691

Molecular Formula: C7H5IN2O3Molecular Weight: 292.030670 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MDOJTZQKHMAPBK-UHFFFAOYSA-N

• 5,5-Dimethyl-1-Pyrroline N-Oxide
IUPAC Name: 2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium | CAS Registry Number: 3317-61-1
Synonyms: DMPO, Lopac-D-5766, Lopac0_000350, D5766_SIGMA, 5,5-Dimethyl-1-pyrroline-N-oxide, CID1774, 5,5-Dimethyl-1-pyrroline N-oxide, ZINC02563972, NCGC00015351-01, NCGC00093786-01, NCGC00093786-02, EU-0100350, S11-0032

Molecular Formula: C6H11NOMolecular Weight: 113.157640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VCUVETGKTILCLC-UHFFFAOYSA-N

• 3-(4-oxo-1h-quinazolin-2-yl)-n-[(1s)-1-phenylethyl]propanamide
IUPAC Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide | CAS Registry Number: 1445251-22-8
Synonyms: ME0328, ME 0328, GTPL8468, CHEMBL3092537, MolPort-035-395-867, IN2089, AKOS024458475, compound 5b [PMID 24188023], ME-0328, 3-(4-oxo-1H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide, S7438,1445251-22-8, 3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1s)-1-Phenylethyl]propanamide, 3,4-Dihydro-4-oxo-3,4-Dihydro-4-oxo-N-[(1S)-1-phenylethyl]-2-quinazolinepropanamide, MEJ

Molecular Formula: C19H19N3O2Molecular Weight: 321.373060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QIHBWVVVRYYYRO-ZDUSSCGKSA-N

• 4-AMINO-7-ß-D-RIBOFURANOSYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE
IUPAC Name: 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | CAS Registry Number: 606-58-6
Synonyms: Vengicide, Naritheracin, Siromycin, Cyanotubericidin, Ahygroscopin-B, Unamycin-B, Uramycin B, Toyokamycin, Antibiotic 1037, TOYOCAMYCIN, Unamycin B, Antibiotic E212, Deazacyanoadenosine, Toyocamycin nucleoside, 7-Deaza-7-cyanoadenosine, Antibiotic E 212, Antibiotic A-399-Y4, CHEBI:260170, NSC 63701, NSC 99843

Molecular Formula: C12H13N5O4Molecular Weight: 291.262720 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: XOKJUSAYZUAMGJ-WOUKDFQISA-N

• 2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluor
IUPAC Name: 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid | CAS Registry Number: 317318-70-0
Synonyms: GSK-516, GW-516, PDSP1_000255, PDSP2_000254, GW501516, GW-501516, LS-193006, {2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid, Acetic acid, (2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolyl)methyl)thio)phenoxy)-

Molecular Formula: C21H18F3NO3S2Molecular Weight: 453.497730 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: YDBLKRPLXZNVNB-UHFFFAOYSA-N

• 1,2-DIDEOXY-2'-ETHYLAMINO-A-D-GLUCOPYRANOSO-[2,1-D]-2'-THIAZOLINE
IUPAC Name: 2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol | CAS Registry Number: 1009816-48-1
Synonyms: Thiamet G, CTK8E7997, MolPort-009-019-528

Molecular Formula: C9H16N2O4SMolecular Weight: 248.299340 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: PPAIMZHKIXDJRN-UHFFFAOYSA-N

• 5-(4-CHLOROPHENYL)-N-(3,5-DIMETHOXYPHENYL)-2-FURANCARBOXAMIDE
IUPAC Name: 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide | CAS Registry Number: 944261-79-4
Synonyms: A-803467, 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide, A 803467, -dimethoxyphenylamide, AGN-PC-00RXF6, SureCN9275137, cc-433, CHEMBL250699, CTK5H6562, CHEBI:520803, MolPort-006-069-060, ABP001000, DNC001572, ZINC14982453, AG-H-89867, BCP9000209, CS-0748, RL05933, NCGC00346700-01, HY-11079

Molecular Formula: C19H16ClNO4Molecular Weight: 357.787640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VHKBTPQDHDSBSP-UHFFFAOYSA-N

• 2,4-Thiazolidinedione,5-(1,3-benzodioxol-5-ylmethylene)-
IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione | CAS Registry Number: 6318-41-8
Synonyms: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione, NSC31098, AC1LOSQO, AC1Q6G3Y, MolPort-001-838-766, NSC-31098, STL290856, ZINC01083224, AKOS000412297, LT00113229, AB-478/30282005, 5-(1,3-benzodioxol-5-ylmethylene)-1,3-thiazolidine-2,4-dione, (5E)-5-(2H-1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione

Molecular Formula: C11H7NO4SMolecular Weight: 249.242580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SDGWAUUPHUBJNQ-RUDMXATFSA-N

• 24-HYDROXYCHOLESTEROL
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 474-73-7
Synonyms: Cerebrosterol, 24-hydroxycholesterol, 24(S)-hydroxycholesterol, Cholest-5-ene-3,24-diol, 24S-hydroxy-cholesterol, (24S)-24-Hydroxycholesterol, 24S-OHC, cholest-5-en-3beta,24S-diol, CHEBI:34310, CPD-7239, CID121948, LMST01010019, (24S)-cholest-5-ene-3beta,24-diol, Cholest-5-ene-3,24-diol, (3beta,24S)-, C13550

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IOWMKBFJCNLRTC-XWXSNNQWSA-N

• 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
IUPAC Name: (2R)-2-[[6-(phenylmethylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol | CAS Registry Number: 186692-46-6
Synonyms: roscovitine, R-Roscovitine, Seliciclib, (R)-roscovitine, Rosco, 2a4l, BiomolKI_000048, BiomolKI2_000054, CBiol_002016, Lopac0_001102, BSPBio_001078, KBioGR_000418, KBioSS_000418, InSolution™ Roscovitine, R7772_SIGMA, CYC 202, CYC-202, CYC202, BCBcMAP01_000013, KBio2_000418

Molecular Formula: C19H26N6OMolecular Weight: 354.449340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: BTIHMVBBUGXLCJ-OAHLLOKOSA-N

• 2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydro-1(2h)-quinolinyl)ethyl]-1 H-isoindole-1,3(2h)-dione
IUPAC Name: 2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione | CAS Registry Number: 332382-54-4
Synonyms: 2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethyl]-1H-isoindole-1,3(2H)-dione, 2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione, CBMicro_009667, ChemDiv1_023217, ML SA1, ML-SA1, AC1MEN83, AGN-PC-0K49KI, Oprea1_383174, Oprea1_593964, MLS000526272, GTPL6386, CHEMBL1527280, STOCK1S-85238, HMS652P07, 2-[2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione, MolPort-001-964-927, REGID_for_CID_2880983, HMS2487O03, SMSF0011620

Molecular Formula: C22H22N2O3Molecular Weight: 362.421680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KDDHBJICVBONAX-UHFFFAOYSA-N

• 4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid
IUPAC Name: 4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid | CAS Registry Number: 328968-36-1
Synonyms: CHEMBL1797936, ST020490, AC1LPE4V, SureCN12092858, QCR-235, MolPort-002-171-380, AKOS000113052, C646, (Z)-4-(4-((5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 4-(4-{[5-(4,5-dimethyl-2-nitrophenyl)(2-furyl)]methylene}-3-methyl-5-oxo-1,2-d iazolinyl)benzoic acid, 4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid

Molecular Formula: C24H19N3O6Molecular Weight: 445.424160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: HEKJYZZSCQBJGB-UNOMPAQXSA-N

• (2S,3S)-2-Amino-3-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide Hydrochloride
IUPAC Name: (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide | CAS Registry Number: 1243259-19-9
Synonyms: SureCN1723692, AKOS010390569, [S-(R*,R*)]-2-Amino-3-methyl-N-[2-(4-morpholinyl)ethyl]pentanamide Dihydrochloride

Molecular Formula: C12H25N3O2Molecular Weight: 243.345800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YNMUTYLWSRFTPX-QWRGUYRKSA-N

• 1H-Purine-2,6-dione,1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dihydro-3,7-dimethyl-
IUPAC Name: 1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione | CAS Registry Number: 166981-13-1
Synonyms: 160944-05-8, CT 2584, AC1MIWQX, SureCN107843, CT-2584, 1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione, 1-(11-(dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 1-(11-(dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-

Molecular Formula: C30H55N5O3Molecular Weight: 533.789400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MZNMZWZGUGFQJP-UHFFFAOYSA-N

• 1H-Indene-1,3(2H)-dione,2-(3-pyridinylmethylene)-
IUPAC Name: 2-(pyridin-3-ylmethylidene)indene-1,3-dione | CAS Registry Number: 31083-55-3
Synonyms: 2-Pyridin-3-ylmethylene-indan-1,3-dione, BRN 1530546, 1,3-Dioxo-2-(3-pyridylmethylene)indan, BAS 00534732, ST024375, 1,3-Indandione, 2-(3-pyridylmethylene)-, NSC600157, AC1L4JND, SureCN677404, AC1Q6D0J, TimTec1_001761, MolPort-000-489-130, HMS1539A01, AR-1E5278, STK371242, ZINC00076034, AKOS000528253, MCULE-6031652118, NSC-600157, LS-81272

Molecular Formula: C15H9NO2Molecular Weight: 235.237460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OMHZFEWYVFWVLI-UHFFFAOYSA-N

• 5-Chloro-1-[(2,5-dichlorophenyl)methyl]-1H-indole-2,3-dione 3-(O-acetyloxime)
IUPAC Name: [[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate | CAS Registry Number: 668467-91-2
Synonyms: AGN-PC-015JWF, CTK8E7168, IN1021, [(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate

Molecular Formula: C17H11Cl3N2O3Molecular Weight: 397.639840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OPQRFPHLZZPCCH-UHFFFAOYSA-N

• 2E,4E,7E-UNDECATRIENE-1-TRIAZINE
IUPAC Name: N-(undeca-2,4,7-trienylideneamino)nitrous amide | CAS Registry Number: 76896-80-5
Synonyms: triacsin c, CID5542

Molecular Formula: C11H17N3OMolecular Weight: 207.272180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NKTGCVUIESDXPU-UHFFFAOYSA-N

• 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
IUPAC Name: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one | CAS Registry Number: 405169-16-6
Synonyms: Kinome_1513, SureCN172687, SureCN949705, SureCN9975396, SureCN10330209, CTK4I3259, AG-F-43728, NCGC00249685-01, NCGC00249685-02, 196472-EP2270000A1, 2(1H)-Quinolinone,4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-, 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-quinolin-2-one, 2(1H)-Quinolinone,4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]- (9CI);4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one;Dovitinib, 4-AMINO-5-FLUORO-3-[6-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE

Molecular Formula: C21H21FN6OMolecular Weight: 392.429443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: KCOYQXZDFIIGCY-UHFFFAOYSA-N

• 3-METHYLADENINE
IUPAC Name: 3-methylpurin-6-amine | CAS Registry Number: 5142-23-4
Synonyms: 3-methyladenine, 6-Amino-3-methylpurine, 3-Methyl-3H-adenine, 3-Methyl-Adenines, N(3)-methyladenine, 3-methylpurin-6-amine, 1p7m, 3H-Purin-6-amine, 3-methyl-, ADENINE, 3-METHYL-, NCIOpen2_000270, 3-Methyl-3H-purin-6-amine, M9281_SIGMA, NSC66389, CHEBI:38635, EINECS 225-908-6, CID1673, NSC 66389, Bio1_000422, Bio1_000911, Bio1_001400

Molecular Formula: C6H7N5Molecular Weight: 149.153280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FSASIHFSFGAIJM-UHFFFAOYSA-N

• 4-chloro-n-(6-chloro-3-pyridinyl)benzamide
IUPAC Name: 4-chloro-N-(6-chloropyridin-3-yl)benzamide | CAS Registry Number: 325457-99-6
Synonyms: CHEMBL2046669, 4-chloro-N-(6-chloropyridin-3-yl)benzamide, ZINC04106369, AC1N86YR, AGN-PC-0L90VW, SCHEMBL5217440, MolPort-002-886-606, AKOS005107441, MS-1460, 9515P, n-(6-chloro-pyridin-3-yl)-4-chloro-benzamide, Benzamide, 4-chloro-N-(6-chloro-3-pyridinyl)-, 4-chloro-N-(6-chloro-3-pyridinyl)benzenecarboxamide

Molecular Formula: C12H8Cl2N2OMolecular Weight: 267.110720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FOYOGIUAMYSVIT-UHFFFAOYSA-N

• 5-(3-CHLORO-4-METHOXYPHENYL)-3-METHYL-5-OXOPENTANOIC ACID
IUPAC Name: 4-methyl-N-(9H-xanthen-9-yl)benzenesulfonamide | CAS Registry Number: 6326-06-3
Synonyms: p-Toluenesulfonamide, N-(xanthen-9-yl)-, CHEMBL3311302, 4-Methyl-N-(9H-xanthen-9-yl)benzenesulfonamide, 4-Methyl-N-(9H-xanthen-9-yl)-benzenesulfonamide, NSC31171, AC1L5PAO, AC1Q2LOE, ChemDiv3_003436, AC1Q6U4U, Oprea1_006107, Oprea1_382032, N-Tosyl-9H-xanthene-9-amine, STOCK2S-31453, MolPort-000-248-957, OZCQEUZTOAAWDK-UHFFFAOYSA-N, HMS1482M04, ZINC626613, BDBM50044874, NSC-31171, STK325647

Molecular Formula: C20H17NO3SMolecular Weight: 351.420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OZCQEUZTOAAWDK-UHFFFAOYSA-N

• 4-Phenylbutyric acid sodium salt
IUPAC Name: sodium 4-phenylbutanoate | CAS Registry Number: 1716-12-7
Synonyms: Buphenyl, TriButyrate, Ammonaps, Ammonapse, Sodium 4-phenylbutyrate, NaPb, Buphenyl (TN), SODIUM PHENYLBUTYRATE, PBNA, 4-Phenylbutyrate, Na, 4PBA, Sodium phenylbutyrate [USAN], Sodium phenylbutyrate (USAN), Benzenebutanoic acid, sodium salt, Phenylbutyric acid sodium salt, C10H12O2.Na, 4-Phenylbutyric Acid Sodium Salt, Sodium 4-Phenylbutyrate (Buphenyl), EL-532, IN1087

Molecular Formula: C10H11NaO2Molecular Weight: 186.182910 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VPZRWNZGLKXFOE-UHFFFAOYSA-M

• 3-(4-chlorophenyl) 1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine | CAS Registry Number: 172889-27-9
Synonyms: 1qpe, PP2 cpd, InSolution™ PP2, BiomolKI_000052, PP 2 (enzyme inhibitor), BiomolKI2_000058, Oprea1_738267, BSPBio_001118, KBioGR_000458, KBioSS_000458, MLS000326622, PP 2, Src family kinase inhibitor PP2, AG 1879, KBio2_000458, KBio2_003026, KBio2_005594, KBio3_000855, KBio3_000856, CID4878

Molecular Formula: C15H16ClN5Molecular Weight: 301.774040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-N

• 4-Pyridinecarboxylicacid, 2-phenylhydrazide
IUPAC Name: N'-phenylpyridine-4-carbohydrazide | CAS Registry Number: 91396-88-2
Synonyms: NSC14613, SureCN250413, AC1L5DZ5, N'-phenylisonicotinohydrazide, MolPort-000-564-458, N'-phenylpyridine-4-carbohydrazide, NSC 14613, NSC-14613, ZINC04428887, AKOS002347507, LS41107, MCULE-9633856805, QC-4557, ST50403678

Molecular Formula: C12H11N3OMolecular Weight: 213.235240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HUDWXDLBWRHCKO-UHFFFAOYSA-N

• 1,2,4,5-Benzenetetramine tetrahydrochloride
IUPAC Name: benzene-1,2,4,5-tetramine tetrahydrochloride | CAS Registry Number: 4506-66-5
Synonyms: 305065_ALDRICH, 86722_FLUKA, MolPort-003-929-678, CID78260, EINECS 224-822-6, 1,2,4,5-Tetraaminobenzene tetrahydrochloride, TL8003129, Benzene-1,2,4,5-tetrayltetraamine tetrahydrochloride

Molecular Formula: C6H14Cl4N4Molecular Weight: 284.014160 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 4

InChIKey: BZDGCIJWPWHAOF-UHFFFAOYSA-N


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