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Hangzhou Pharma & Chem Co., Ltd.

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• (4,4-Diethoxy-butyl)-dimethyl-amine
IUPAC Name: 4,4-diethoxy-N,N-dimethylbutan-1-amine | CAS Registry Number: 1116-77-4
Synonyms: 4,4-Diethoxy-N,N-dimethyl-1-butanamine, 4,4-Diethoxy-N,N-dimethylbutylamine, 4,4-diethoxy-N,N-dimethylbutan-1-amine, N,N-Dimethyl-4-aminobutanal diethyl acetal, 4-(Dimethylamino)butyraldehyde Diethyl Acetal, 4-(N,N-Dimethylamino)Butanal Diethyl Acetal, PubChem20793, 4-Dimethylaminobutyraldehyde diethylacetal, AC1LC3BP, ACMC-1C8HB, AGN-PC-0D2XPV, KSC174M6H, 647055_ALDRICH, Jsp000876, CTK0H4663, MolPort-003-938-228, ACT04416, 4,4-Diethoxy-N,N-dimethylbutanamine, 4-Dimethylaminobutanal diethyl acetal, ANW-16306

Molecular Formula: C10H23NO2Molecular Weight: 189.295120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QKXMWBLNSPNBEY-UHFFFAOYSA-N

• 2-Chloro-5-nitronicotinic acid
IUPAC Name: 2-chloro-5-nitropyridine-3-carboxylic acid | CAS Registry Number: 42959-38-6
Synonyms: 2-chloro-5-nitropyridine-3-carboxylic acid, 2-Chloro-5-nitronicotinicacid, 3-Carboxy-2-chloro-5-nitropyridine, SBB052883, AG-F-52454, PubChem9631, ACMC-209js2, KSC235O0F, CTK1D5702, 2-Chloro-5-nitronicotinic acid,, MolPort-000-002-886, ACN-S002052, ACT02406, ANW-29904, WTI-10124, AKOS004912285, AC-7487, PB17367, RP04374, AK-25966

Molecular Formula: C6H3ClN2O4Molecular Weight: 202.552020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WOFZRBCITDVRON-UHFFFAOYSA-N

• 6-methyl-2-(4-methylphenyl)imidazo[1,2-a]-pyridine-3-acetic acid
IUPAC Name: 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid | CAS Registry Number: 189005-44-5
Synonyms: zolpidic acid, 6-methyl-2-(4-methylphenyl)imidazol[1,2-a]-pyridine-3-acetic acid, Imidazo[1,2-a]pyridine-3-acetic acid, 6-methyl-2-(4-methylphenyl)-, 6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-acetic acid, 2-(4-methylphenyl)-6-methylimidazole[1,2-a]-pyridine-3-acetic acid, (6-methyl-2-p-tolyl-imidazo[1,2-a]pyridin-3-yl)-acetic acid, 6-methyl-2-(4-methylphenyl)-imidazol[1,2-a]pyridine-3-acetic acid, Zolpidem Acid, SureCN1761287, AGN-PC-008V95, CTK8F0751, MolPort-003-732-422, SBB067628, AKOS015913240, AB18830, AC-3377, RP29841, AK-27037, N766, KB-105272

Molecular Formula: C17H16N2O2Molecular Weight: 280.321140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JHGHLTNIQXXXNV-UHFFFAOYSA-N

• 5-Fluoro-2-hydroxypyrimidine
IUPAC Name: 5-fluoro-1H-pyrimidin-2-one | CAS Registry Number: 2022-78-8
Synonyms: 5-fluoro-2-pyrimidone, 5-Fluoro-2-pyrimidinol, 5-Fluoropyrimidin-2-one, 2-Hydroxy-5-fluoropyrimidine, 5-Fluoro-2(1H)-pyrimidinone, 5-Fluoro-2(1H)-pyrimidone, MLS000758251, MLS001424161, 2(1H)-Pyrimidinone, 5-fluoro-, 656445_ALDRICH, NSC529069, CID101498, NSC 529069, CPD000449315, SAM001247017, SMR000449315, 2(1H)-Pyrimidinone, 5-fluoro- (8CI)(9CI)

Molecular Formula: C4H3FN2OMolecular Weight: 114.077823 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HPABFFGQPLJKBP-UHFFFAOYSA-N

• 2-Chloro-4,6-Dimethoxy Pyrimidine
IUPAC Name: 2-chloro-4,6-dimethylpyrimidine | CAS Registry Number: 4472-44-0
Synonyms: 2-Chloro-4,6-dimethylpyrimidine, NSC49016, NSC 49016, PYRIMIDINE, 2-CHLORO-4,6-DIMETHYL-, CID20550, BRN 0110697, ZINC01529072, LS-134909, ST5160455, 5-23-05-00401 (Beilstein Handbook Reference), AF-399/25039008

Molecular Formula: C6H7ClN2Molecular Weight: 142.586180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RZVPFDOTMFYQHR-UHFFFAOYSA-N

• (R)(+) Alpha Methylbenzyl Amine
IUPAC Name: (1R)-1-phenylethanamine | CAS Registry Number: 3886-69-9
Synonyms: 1-Phenylethanamine, D-alpha-Methylbenzylamine, (1R)-1-phenylethanamine, (R)-()-1-Phenylethylamine, 115541_ALDRICH, (R)-()-alpha-Methylbenzylamine, 77879_FLUKA, 77880_FLUKA, CHEBI:35322, Benzenemethanamine, alpha-methyl-, (R)-alpha-Methylbenzenemethanamine, (alphaR)-alpha-methylbenzenemethanamine, SL-00443, InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H, 98-84-0

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N

• 2-Chloro-5-Nitro Pyridine
IUPAC Name: 2-chloro-5-nitropyridine | CAS Registry Number: 4548-45-2
Synonyms: 2-Chloro-5-nitropyridine, Pyridine, 2-chloro-5-nitro-, WLN: T6NJ BG ENW, C61801_ALDRICH, NSC4468, NSC 4468, 25610_FLUKA, EINECS 224-908-3, TOS-BB-0083, AIDS167190, AIDS-167190, CID78308, BRN 0120453, ZINC02564034, AI3-19230, C188, LS-131097, ST5208947, TL8003156, 5-20-05-00452 (Beilstein Handbook Reference)

Molecular Formula: C5H3ClN2O2Molecular Weight: 158.542520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BAZVFQBTJPBRTJ-UHFFFAOYSA-N

• (E)-1-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-3-METHYL-PENTA-1,4-DIEN-3-OL
IUPAC Name: (1E)-1-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-1,4-dien-3-ol | CAS Registry Number: 54757-48-1
Synonyms: EINECS 259-323-2, MolPort-005-940-953, CID6365527, 1-(4-Methoxy-2,3,6-trimethylphenyl)-3-methylpenta-1,4-dien-3-ol

Molecular Formula: C16H22O2Molecular Weight: 246.344680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DLEFXRUYVNNBFL-CMDGGOBGSA-N

• 2,4-Thiazolidine Dione
IUPAC Name: 1,3-thiazolidine-2,4-dione | CAS Registry Number: 2295-31-0
Synonyms: Thiazolidinedione, 2,4-Dioxothiazolidine, 2,4-THIAZOLIDINEDIONE, 2,4(3H,5H)-Thiazoledione, Thiazolidinedione-2,4, WLN: T5SVMV EHJ, USAF EK-5496, 1,3-Thiazolidine-2,4-dione, thiazolidinedione deriv. 21, NSC6745, 375004_ALDRICH, 2,4-thiazolidinedione potassium, NSC 6745, CHEBI:50992, EINECS 218-941-2, Potassium 2,4-dioxothiazolidinate, AIDS019667, AIDS-019667, BRN 0110700, SBB000047

Molecular Formula: C3H3NO2SMolecular Weight: 117.126420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZOBPZXTWZATXDG-UHFFFAOYSA-N

• 2-Methylsulphonyl-4,6-Dimethoxy Pyrimidine
IUPAC Name: 4,6-dimethoxy-2-methylsulfonylpyrimidine | CAS Registry Number: 113583-35-0
Synonyms: Maybridge1_008822, MLS000701367, 549878_ALDRICH, ZINC00365936, 4,6-dimethoxy-2-pyrimidinyl methyl sulfone, 4,6-Dimethoxy-2-methylsulfonylpyrimidine, SMR000229180, 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine, ST5307490, AN-668/13681035, SR-01000641319-1

Molecular Formula: C7H10N2O4SMolecular Weight: 218.230300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: ITDVJJVNAASTRS-UHFFFAOYSA-N

• 3-Indole Acetic Acid
IUPAC Name: 2-(1H-indol-3-yl)acetic acid | CAS Registry Number: 87-51-4
Synonyms: indoleacetic acid, Heteroauxin, Rhizopin, 3-Indoleacetic acid, auxin, indole-3-acetic acid, indoleacetate, Hexteroauxin, Rhizopon A, 1H-Indole-3-acetic acid, indole-3-acetate, Acetic acid, indolyl-, 3-Iaa, beta-Indoleacetic acid, 3-(Carboxymethyl)indole, Heteroauxinhexteroauxiniaa, alpha-IAA, beta-Indolylacetic acid, Indol-3-ylacetic acid, beta-IAA

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SEOVTRFCIGRIMH-UHFFFAOYSA-N

• 2,6-Diaminopurine 2'-Deoxyriboside
IUPAC Name: 5-(2,4-diamino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 4546-70-7
Synonyms: 2,6-Diaminopurine 2'-deoxyriboside

Molecular Formula: C11H15N5O3Molecular Weight: 265.268500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: AQSOUOJYINWATI-UHFFFAOYSA-N

• 6-Amino-3-Pyridinol Hydrochloride
IUPAC Name: 6-aminopyridin-3-ol;hydrochloride | CAS Registry Number: 856965-37-2
Synonyms: 2-Amino-5-hydroxypyridine hydrochloride, 6-aminopyridin-3-ol hydrochloride, 6-Amino-Pyridin-3-OL Hydrochloride, AG-H-45273, SureCN2536257, KSC495S8D, 2-Amino-5-hydroxypyridine HCl, CTK3J5981, MolPort-008-155-649, 6-Amino-3-pyridinol hydrochloride, ACT10258, ANW-56726, CL0038, AKOS005257059, 5-Hydroxypyridin-2-amine hydrochloride, OR16984, QC-4157, AK-40830, KB-87575, AM20061550

Molecular Formula: C5H7ClN2OMolecular Weight: 146.574880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: VFVKEBQUEFKSMO-UHFFFAOYSA-N

• 6-Benzyloxy Purine
IUPAC Name: 6-phenylmethoxy-7H-purine | CAS Registry Number: 57500-07-9
Synonyms: 6-Benzyloxypurine, 6-benzoxy-9H-purine, 6-Benzyloxy-9H-purine, Oprea1_781438, 387606_ALDRICH, CHEBI:331789, MolPort-003-931-561, NSC27309, CID853677, ZINC00156177, ZINC00395505, B3355, LT00453375

Molecular Formula: C12H10N4OMolecular Weight: 226.234000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZZZXGPGVDJDFCJ-UHFFFAOYSA-N

• 3-Methyl-1-(2,6,6-Trimethylcyclohex-1-En-Yl) Pwnta-1,4-Dien-3-Ol
IUPAC Name: (1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol | CAS Registry Number: 5208-93-5
Synonyms: Vinyl-beta-ionol, EINECS 226-006-5, EINECS 261-585-8, CID6436846, 1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol, (E)-(1)-3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol, 59057-30-6

Molecular Formula: C15H24OMolecular Weight: 220.350460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PZGYHDPZANRCSM-PKNBQFBNSA-N

• 5-HYDROXY-4-METHYL-2-5(H)-FURANONE (CAS: 4083-44-2)
• 2,6-Dichloroisonicotinic acid
IUPAC Name: 2,6-dichloropyridine-4-carboxylic acid | CAS Registry Number: 5398-44-7
Synonyms: Enamine_005327, TPC-PY019, 456543_ALDRICH, 2,6-Dichloro-isonicotinic acid, NSC4466, 4-Pyridinecarboxylic acid, 2,6-dichloro-, ALBB-006233, SBB003621, 2,6-Dichloropyridine-4-carboxylic acid, Pyridine-4-carboxylic acid, 2,6-dichloro-, AI3-19387, TL8003540, AJ-333/25006161, InChI=1/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SQSYNRCXIZHKAI-UHFFFAOYSA-N

• 1-Benzyl-3-hydroxy-1H indazole
IUPAC Name: 1-(phenylmethyl)-2H-indazol-3-one | CAS Registry Number: 2215-63-6
Synonyms: CBMicro_007258, ChemDiv2_000492, 1-Benzyl-1H-indazol-3-ol, Oprea1_122894, Oprea1_591436, MLS001211149, 1H-Indazol-3-ol, 1-benzyl-, STOCK1S-86033, 1-Benzyl-1,2-dihydro-indazol-3-one, EINECS 218-680-4, EINECS 236-138-5, NSC247064, ZINC00238036, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, BAS 01403806, SMR000516810, BIM-0007142.P001, ST5406772, 3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt

Molecular Formula: C14H12N2OMolecular Weight: 224.257880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SXPJFDSMKWLOAB-UHFFFAOYSA-N

• 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
IUPAC Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride | CAS Registry Number: 84163-13-3
Synonyms: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride, 6-Fluoro-3-piperid-4-yl-1,2-benzisoxazole HCl, 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole HCl, 6-Fluoro-3-(4-piperidyl)-1,2-benzisoxazole hydrochloride, 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloride, 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazolehydrochloride, 6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochloride, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride, 6-Fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride, R-56109 hydrochloride, SureCN531052, UNII-X3U18DS1Y7, AGN-PC-0070EP, CTK3J8204, MolPort-000-847-414, BB_SC-4607, ACN-S003860, ACT02050, ANW-50685, RW2416

Molecular Formula: C12H14ClFN2OMolecular Weight: 256.703763 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CWPSRUREOSBKBQ-UHFFFAOYSA-N

• (S)-3-[1-(Dimethylamino)ethyl]phenol
IUPAC Name: 3-[(1S)-1-(dimethylamino)ethyl]phenol | CAS Registry Number: 139306-10-8
Synonyms: (S)-3-(1-(dimethylamino)ethyl)phenol, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, 3-[(1S)-1-(Dimethylaminoethyl)]phenol, 3-((S)-1-Dimethylamino-ethyl)-phenol, (S)-3-(1-N,N-dimethylaminoethyl) phenol, SAF, 3-((1S)-1-(Dimethylamino)ethyl)phenol, Phenol, 3-((1S)-1-(dimethylamino)ethyl)-, Phenol, 3-[(1S)-1-(dimethylamino)ethyl]-, (S)-3-1(- Dimethylamino)ethylphenol, 1gqs, Phenol,3-[(1S)-1-(dimethylamino)ethyl]-, PubChem9985, SureCN47340, AC1L9IQ3, UNII-1608PLR9ZO, RIVASTIGMINE METABOLITE, Jsp002349, CTK4C1743, MolPort-003-849-314

Molecular Formula: C10H15NOMolecular Weight: 165.232200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GQZXRLWUYONVCP-QMMMGPOBSA-N

• 9H-Purin-2-amine, N-[(4-methoxyphenyl)diphenylmethyl]-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-, [1S-(1a,3a,4b)]-
IUPAC Name: N-[(4-methoxyphenyl)-diphenylmethyl]-9-[(1S,3S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine | CAS Registry Number: 142217-80-9
Synonyms: 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine, CTK8B4393, ANW-44903, AKOS015896665, AK-72844, BR-72844, I06-2209, 6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyph

Molecular Formula: C53H49N5O4Molecular Weight: 819.987260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: OXHGMTPGAFKZHK-SHRDPCBYSA-N

• 1,3,4-Oxadiazole-2-Carboxylic Acid, 5-Methyl-, Potassium Salt
IUPAC Name: potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate | CAS Registry Number: 888504-28-7
Synonyms: 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt, potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate, 5-Methyl-1,3,4-oxadiazole-2-carboxylate,potassium salt, POTASSIUM 5-METHYL-[1,3,4]OXADIAZOLE-2-CARBOXYLATE, Oxadiazole Potassim Salt, SureCN52283, CTK8D4259, MolPort-003-987-384, AKOS006285709, LS40165, PB14509, RP02464, AK-40665, BR-40665, AB1008491, KB-197964, TL8005754, FT-0671940, X4799, I14-12025

Molecular Formula: C4H3KN2O3Molecular Weight: 166.176520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BRHMYHXNUGVBCU-UHFFFAOYSA-M

• 4-(1H-1,2,4-Triazol-1-yl-methyl)benzenamine
IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)aniline | CAS Registry Number: 119192-10-8
Synonyms: 4-(1H-1,2,4-triazol-1-ylmethyl)aniline, 1-(4-Aminobenzyl)-1,2,4-triazole, 4-(1,2,4-Triazol-1-ylmethyl)aniline, 4-[1,2,4]triazol-1-ylmethylphenylamine, 4-[1,2,4]Triazol-1-ylmethyl-phenylamine, 4-(1H-1,2,4-triazol-1-yl-methyl) aniline, 4-(1h-1,2,4-triazol-1-ylmethyl)benzenamine, 4-(1H-1,2,4-triazol-1-ylmethyl)phenylamine, Benzenamine, 4-(1H-1,2,4-triazol-1-ylmethyl)-, 4-(1,2,4-triazolylmethyl)phenylamine, 4-((1H-1,2,4-triazol-1-yl)methyl)aniline, 4-(1h-1,2,4-triazol-1-yl methyl)benzeneamine, 4-[1h-1,2,4-triazol-1-yl methyl]benzeneamine, PubChem20210, AC1LGH6Y, ACMC-209a1m, SureCN264856, AC1Q520Q, BEN064, CTK4B1118

Molecular Formula: C9H10N4Molecular Weight: 174.202500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZGLQVRIVLWGDNA-UHFFFAOYSA-N

• (S)-4-(4-Aminobenzyl)-1,3-oxazolidin-2-one
IUPAC Name: (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one | CAS Registry Number: 152305-23-2
Synonyms: (S)-4-(4-Aminobenzyl)-2(1H)-oxazolidinone, (S)-4-(4-Aminobenzyl)-2-oxazolidinone, (S)-4-(4-aminobenzyl)oxazolidin-2-one, (4S)-4-[(4-Aminophenyl)methyl]-2-oxazolidinone, (S)-4-(4-AMINO-BENZYL)-OXAZOLIDINE-2-ONE, (S)-4-(4-AMINOBENZYL)-1,3-OXAZOLIDIN-2-ONE, (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one, (S)-4-(4-Aminobenzyl)-1,3-oxozolidin-2-one, SBB070336, AG-D-99528, (S)-4-(4'-AMINOBENZYL)-1,3-OXAZOLIDIN-2-ONE, (4s)-(4-aminobenzyl)-2-oxazolidine-2-one, 340041-89-6, PubChem7548, AC1OFFG2, SureCN825617, ZTR 5, 658405_ALDRICH, Jsp002933, CTK4C7393

Molecular Formula: C10H12N2O2Molecular Weight: 192.214480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WNAVSKJKDPLWBD-VIFPVBQESA-N

• 6,7-Dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazolium chloride
IUPAC Name: 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-thiol;chloride | CAS Registry Number: 153851-71-9
Synonyms: 6,7-Dihydro-6-mercapto-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium chloride, 5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium, 6,7-dihydro-6-mercapto-, chloride, Side chain for biapenem, MolPort-003-986-473, ANW-73895, SBB066376, AKOS006284722, AC-2026, RP17817, AK-47895, L840, TL8001153, M-2663, I09-0251, 6,7-dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazolium chloride; 6,7-dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium,c hloride

Molecular Formula: C5H8ClN3SMolecular Weight: 177.655120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HPBXUFOSZBCEIQ-UHFFFAOYSA-N

• 4-(N,N-Dimethylamino)butanal dimethyl acetal
IUPAC Name: 4,4-dimethoxy-N,N-dimethylbutan-1-amine | CAS Registry Number: 19718-92-4
Synonyms: 4-(Dimethylamino)butyraldehyde Dimethyl Acetal, (4,4-Dimethoxy-butyl)-dimethyl-amin, AG-E-43933, 4,4-dimethoxy-N,N-dimethylbutan-1-amine, 4-(N,N-Dimethylamino)butanaldimethylacetal, 4-(DIMETHYLAMINO)BUTANAL DIMETHYL ACETAL, zlchem 458, ACMC-1B47V, ZLC0321, MolPort-003-986-569, ACT04354, ANW-23742, 4,4-Dimethoxy-N,N-dimethylbutylamine, (4,4-Dimethoxy-butyl)-dimethyl-amine, AKOS006344719, AC-2018, AK-81530, n,n-dimethyl-4,4-dimethoxy-1-butanamine, 4-dimethylamino butyaldehyde dimethylacetal, 4-dimethylaminobutyaldehyde dimethyl acetal

Molecular Formula: C8H19NO2Molecular Weight: 161.241960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WDZKKBDOGYBYBG-UHFFFAOYSA-N

• 6-Chloroguanosine
IUPAC Name: (2R,3R,4S,5R)-2-(2-amino-6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 2004-07-1
Synonyms: 6-Chloroguanine riboside, A4634_SIGMA, 2-Amino-6-chloropurine riboside, EINECS 217-905-3, SBB002967, ZINC03861763, (−)-2-Amino-6-chloropurine riboside, 6-Chloro-9-beta-D-ribofuranosyl-9H-purin-2-amine

Molecular Formula: C10H12ClN5O4Molecular Weight: 301.686380 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: TXWHPSZYRUHEGT-UUOKFMHZSA-N

• 6-Amino-1-methyluracil
IUPAC Name: 6-amino-1-methylpyrimidine-2,4-dione | CAS Registry Number: 2434-53-9
Synonyms: NSC7369, 346799_ALDRICH, CID75520, EINECS 219-422-3, ZINC00154763, ST5307513, 6-Amino-1-methyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-, 6-amino-1-methylpyrimidine-2,4(1H,3H)-dione, InChI=1/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10

Molecular Formula: C5H7N3O2Molecular Weight: 141.127980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GZLZRPNUDBIQBM-UHFFFAOYSA-N

• 2,3,6-Trifluorophenylboronic acid
IUPAC Name: (2,3,6-trifluorophenyl)boronic acid | CAS Registry Number: 247564-71-2
Synonyms: 524093_ALDRICH, T5532G1

Molecular Formula: C6H4BF3O2Molecular Weight: 175.900970 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: IWPDDRPLEKURGG-UHFFFAOYSA-N

• 4,6-Dimethyl-2-methylsulfonylpyrimidine
IUPAC Name: 4,6-dimethyl-2-methylsulfonylpyrimidine | CAS Registry Number: 35144-22-0
Synonyms: 4,6-dimethyl-2-(methylsulfonyl)pyrimidine, 2-Methanesulfonyl-4,6-dimethylpyrimidine, AG-F-21070, 2-METHANESULFONYL-4,6-DIMETHYL-PYRIMIDINE, AC1MCLCJ, PubChem10458, PubChem21462, ACMC-209idk, SureCN1051087, KSC496I3D, 2-mes-4,6-dimethylpyrimidine, Jsp006336, CTK3J6431, MolPort-002-461-846, ACT01592, ANW-28086, BBL000003, STK009317, ZINC02510664, AKOS005107489

Molecular Formula: C7H10N2O2SMolecular Weight: 186.231500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZHPSNGCLCHWTRG-UHFFFAOYSA-N

• 1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine
IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride | CAS Registry Number: 141109-19-5
Synonyms: AB1004590

Molecular Formula: C15H17Cl2NO2SMolecular Weight: 346.271980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZXANKCFSGFEBQW-PFEQFJNWSA-N

• 2-Fluoroadenosine
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 146-78-1
Synonyms: 2-Far, 2-Fas, F-Ara-A, Ambap1078, Fludarabine des-phosphate, ADENOSINE, 2-FLUORO-, MLS001066367, F2773_SIGMA, SRI 727, 656402_ALDRICH, CHEBI:39740, NSC 30605, BRN 0043956, PDSP1_001071, PDSP2_001055, 6-Amino-2-fluoro-9-beta-D-ribofuranosylpurine, AI3-52599, NCGC00181336-01, LS-15139, SMR000471849

Molecular Formula: C10H12FN5O4Molecular Weight: 285.231783 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: HBUBKKRHXORPQB-UUOKFMHZSA-N

• 5-Bromouracil
IUPAC Name: 5-bromo-1H-pyrimidine-2,4-dione | CAS Registry Number: 51-20-7
Synonyms: Uracil, 5-bromo-, BROMOURACIL, Bromuracil, C4H3BrN2O2, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-, Uracil, 5-bromo- (VAN), 5-Bromo-2,4-dihydroxypyrimidine, 852473_ALDRICH, 18660_FLUKA, 5-Bromo-2,4(1H,3H)-pyrimidinedione, 5-bromopyrimidine-2,4(1H,3H)-dione, CHEBI:20552, EINECS 200-084-0, CID5802, NSC 19940, AIDS081810, AIDS-081810, NSC19940, SBB003643, Uracil, 5-bromo- (VAN) (8CI)

Molecular Formula: C4H3BrN2O2Molecular Weight: 190.982820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LQLQRFGHAALLLE-UHFFFAOYSA-N

• 2-Mercapto-4,6-Dimethyl Pyrimidine
IUPAC Name: 4,6-dimethyl-1H-pyrimidine-2-thione | CAS Registry Number: 22325-27-5
Synonyms: 4,6-Dimethyl-2-mercaptopyrimidine, 4,6-Dimethyl-2-pyrimidinethiol, 4,6-Dimethyl-2-thiopyrimidine, 4,6-Dimethylpyrimidine-2-thione, 138010_ALDRICH, 2-Mercapto-4,6-dimethylpyrimidine, 2(1H)-Pyrimidinethione, 4,6-dimethyl-, EINECS 244-911-3, 2-Pyrimidinethiol, 4,6-dimethyl-, 4,6-Dimethyl-2(1H)-pyrimidinethione, NSC15491, 2-Mercapto-4,6-dimethyl-pyrimidine, ZINC00035775, ZINC00086626, LS-135636, A0458/0021138, 13139-97-4

Molecular Formula: C6H8N2SMolecular Weight: 140.206120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: RAFAYWADRVMWFA-UHFFFAOYSA-N

• 3-Methyl Xanthine
IUPAC Name: 3-methyl-7H-purine-2,6-dione | CAS Registry Number: 1076-22-8
Synonyms: 3-Methylxanthine, Purine analog, Xanthine, 3-methyl-, Ambap7379, Spectrum_001898, SpecPlus_000737, Spectrum2_000502, Spectrum3_001652, Spectrum4_001571, Spectrum5_001544, 3 MX, 3-METHYL XANTHINE, CCRIS 5817, Oprea1_233226, Oprea1_288071, BSPBio_003403, KBioGR_002122, KBioSS_002428, DivK1c_006833, SPECTRUM1504182

Molecular Formula: C6H6N4O2Molecular Weight: 166.137440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GMSNIKWWOQHZGF-UHFFFAOYSA-N

• 2,4-Dihydroxypyridine
IUPAC Name: 2-hydroxy-1H-pyridin-4-one | CAS Registry Number: 626-03-9
Synonyms: 3-Deazauracil, 2,4-Pyridinediol, 4-Hydroxy-2-pyridone, 2,4-DIHYDROXYPYRIDINE, pyridine-2,4-diol, 2(1H)-Pyridinone, 4-hydroxy-, 2(1H)-Pyridinone,4-hydroxy, 4-Hydroxy-2(1H)-pyridinone, 2(1H)-Pyridone, 4-hydroxy-, 176974_ALDRICH, NSC37839, 37945_FLUKA, EINECS 210-924-8, NSC 37839, NSC119859, AIDS081856, NSC 119859, AIDS-081856, SBB004331, ZINC03861292

Molecular Formula: C5H5NO2Molecular Weight: 111.098700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZEZJPIDPVXJEME-UHFFFAOYSA-N

• 2-Chloro-5-fluoropyrimidine
IUPAC Name: 2-chloro-5-fluoropyrimidine | CAS Registry Number: 62802-42-0
Synonyms: 5-Fluoro-2-chloropyrimidine, 2-Chloro-5-fluoro-pyrimidine, 651753_ALDRICH, FS001041, TL8004270, 3S211020

Molecular Formula: C4H2ClFN2Molecular Weight: 132.523483 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AGYUQBNABXVWMS-UHFFFAOYSA-N

• 2-Fluoroadenine
IUPAC Name: 2-fluoro-7H-purin-6-amine | CAS Registry Number: 700-49-2
Synonyms: 2-Fad, 2-Fluoro-6-aminopurine, ADENINE, 2-FLUORO-, Purine, 6-amino-2-fluoro-, 9H-Adenine, 2-fluoro-, 2-Fluoro-1H-purin-6-amine, SRI 774, 1H-Purin-6-amine, 2-fluoro-, Adenine, 2-fluoro- (VAN), 535087_ALDRICH, NSC 27364, 2-Fluoro-7(9)H-purin-6-ylamine, NSC27364, BRN 0610958, ZINC01641355, Adenine, 2-fluoro- (VAN) (8CI), LS-1599, 1H-Purin-6-amine, 2-fluoro- (9CI), ST5298902, TL8004934

Molecular Formula: C5H4FN5Molecular Weight: 153.117163 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: WKMPTBDYDNUJLF-UHFFFAOYSA-N

• 3-Indolylacetonitrile
IUPAC Name: 2-(1H-indol-3-yl)acetonitrile | CAS Registry Number: 771-51-7
Synonyms: Indole-3-acetonitrile, 3-Indoleacetonitrile, Indoleacetonitrile, Indolylacetonitril, Indolylacetonitrile, 3-(Cyanomethyl)indole, Indol-3-ylacetonitrile, 3-Indolacetonitrile, 1H-Indole-3-acetonitrile, Acetonitrile, 3-indolyl-, INDOLEYL-CPD, (indol-3-yl)acetonitrile, USAF CB-29, indole-3-ylacetonitrile, (Indole-3-yl)acetonitrile, 1H-Indol-3-ylacetonitrile, (3-Indolyl)acetonitrile, CCRIS 5807, Indole-3-acetonitrile (8CI), WLN: T56 BMJ D1CN

Molecular Formula: C10H8N2Molecular Weight: 156.183920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DMCPFOBLJMLSNX-UHFFFAOYSA-N

• 4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-naphthalenaminehydrochlroide
IUPAC Name: 4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine;hydrochloride | CAS Registry Number: 79617-99-5
Synonyms: AG-H-19304, SureCN5326481, CTK5E6963, A839727, 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-1-NAPHTHALENIMINE HYDROCHLORIDE, 4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine hydrochloride, 1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride (1:1),(1R,4S)-rel-, 1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride,(1R,4S)-rel- (9CI);1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, trans-(?A'A A'A currency)-;1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, trans-;Sertraline hydrechloride;4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenimine hydrochloride;

Molecular Formula: C17H16Cl3NMolecular Weight: 340.674640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VUWMBIAOLDXLOZ-UHFFFAOYSA-N

• 4-Choromethyl-5-methyl-2-oxo-1,3-dioxole
IUPAC Name: 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one | CAS Registry Number: 80841-78-7
Synonyms: 4-Chloromethyl-5-methyl-1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one, 4-Cloromethyl-5-methyl-1,3-dioxol-2-one, 4-chloromethyl-5-methyl-1,3-dioxolen-2-one, PubChem10542, SureCN94170, ACMC-209pk7, KSC490E4R, DIO022, CTK3J0248, MolPort-003-987-256, ANW-37397, SBB070689, ZINC21300263, AKOS006380113, AG-A-74457, LS40764, QC-1471, RP17353, RP21241

Molecular Formula: C5H5ClO3Molecular Weight: 148.544400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QCLFSYYUWPUWQR-UHFFFAOYSA-N

• 2-Amino-6-bromopyridine
IUPAC Name: 5-bromoimidazo[1,2-a]pyridine | CAS Registry Number: 19798-81-3
Synonyms: 5-Bromo-imidazo[1,2-a]pyridine, FS002047

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CCOFGVWHMYYDBG-UHFFFAOYSA-N

• 5,6-Dimethoxy-1-Indanone
IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one | CAS Registry Number: 2107-69-9
Synonyms: 5,6-Dimethoxy-1-indanone, 5,6-Dimethoxyindan-1-one, 147826_ALDRICH, NSC401450, CID75018, EINECS 218-287-8, ZINC00164394, NSC 401450, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-, ST5308464, TL8001751, InChI=1/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IHMQOBPGHZFGLC-UHFFFAOYSA-N

• 2-Amino-3-cyanopyridine
IUPAC Name: 2-aminopyridin-1-ium-3-carbonitrile | CAS Registry Number: 24517-64-4
Synonyms: ZINC00332991, CID6946533

Molecular Formula: C6H6N3+Molecular Weight: 120.131940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YYXDQRRDNPRJFL-UHFFFAOYSA-O

• 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine | CAS Registry Number: 3680-69-1
Synonyms: NCIOpen2_000244, 4-Chloropyrrolo(2,3-d)pyrimidine, NSC64952, NSC 64952, 7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-, ALBB-010107, BRN 0607871, CID5356682, LS-139562, TL8002718

Molecular Formula: C6H4ClN3Molecular Weight: 153.569060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BPTCCCTWWAUJRK-UHFFFAOYSA-N

• 2,4-Dihydroxy-3-nitropyridine
IUPAC Name: 4-hydroxy-3-nitro-1H-pyridin-2-one | CAS Registry Number: 89282-12-2
Synonyms: 3-Nitropyridine-2,4-diol, 3-nitro-2,4-pyridinediol, 4,6-Dihydroxy-5-nitropyridine, 4-Hydroxy-3-nitro-2-pyridone, AE-842/32231011, PubChem5469, ACMC-209qzb, SureCN1191637, KSC495S9N, CTK3J5996, MolPort-000-139-945, ACN-S001261, ANW-39237, CL0010, SBB055676, ZINC12360011, 2-hydroxy-3-nitro-1H-pyridin-4-one, 4-Hydroxy-3-nitro-2(1H)-pyridinone, AKOS005257339, 3-nitro-2-oxidanyl-1H-pyridin-4-one

Molecular Formula: C5H4N2O4Molecular Weight: 156.096260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BKYGVGWYPFVKTK-UHFFFAOYSA-N

• 2-Thiophenemethylamine
IUPAC Name: thiophen-2-ylmethanamine | CAS Registry Number: 27757-85-3
Synonyms: Thiophenemethanamine, 2-Aminomethylthiophene, 2-Thienylmethanamine, (2-Thienylmethyl)amine, 2-THIOPHENEMETHANAMINE, 2-THENYL AMINE, 2-(Aminomethyl)thiophene, 220884_ALDRICH, (2-Thienylmethyl)ammonium chloride, EINECS 231-011-0, EINECS 248-639-6, SBB004315, 55230-88-1, 7404-63-9

Molecular Formula: C5H7NSMolecular Weight: 113.180780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FKKJJPMGAWGYPN-UHFFFAOYSA-N

• 2-Bromo-6-(hydroxymethyl)pyridine
IUPAC Name: (6-bromopyridin-2-yl)methanol | CAS Registry Number: 33674-96-3
Synonyms: 6-Bromo-2-pyridinemethanol, 554146_ALDRICH, (6-Bromo-pyridin-2-yl)methanol, (6-Bromo-Pyridin-2-yl)-Methanol, TL8002537

Molecular Formula: C6H6BrNOMolecular Weight: 188.021940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XDDGKNRSCDEWBR-UHFFFAOYSA-N

• 3,3',5,5'-Tetramethylbenzidine Dihydrochloride
IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline dihydrochloride | CAS Registry Number: 64285-73-0
Synonyms: T3405_SIGMA, EINECS 264-769-6, CID174033, 3,3',5,5'-TETRAMETHYLBENZIDINE, LT03330181, T-2145, T-2150, 3,3',5,5'-Tetramethylbenzidine dihydrochloride, 3,3',5,5'-Tetramethyl(1,1'-biphenyl)-4,4'-diamine dihydrochloride, 4,4'-Diamino-3,3',5,5'-tetramethylbiphenyl dihydrochloride, (1,1'-Biphenyl)-4,4'-diamine, 3,3',5,5'-tetramethyl-, dihydrochloride, (1,1'-Biphenyl)-4,4'-diamine, 3,3',5,5'-tetramethyl-, hydrochloride (1:2)

Molecular Formula: C16H22Cl2N2Molecular Weight: 313.265280 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: NYNRGZULARUZCC-UHFFFAOYSA-N

• 1-[4-(3-Chloropropoxy)-3-Methoxyphenyl]Ethanone
IUPAC Name: 1-[4-(3-chloropropoxy)-3-methoxyphenyl]ethanone | CAS Registry Number: 58113-30-7
Synonyms: 1-[4-(3-chloropropoxy)-3-methoxyphenyl]ethanone, 4-(3-chloropropoxy)-3-methoxyacetophenone, AO-638/40907417, Ethanone, 1-[4-(3-chloropropoxy)-3-methoxyphenyl]-, ZINC04666713, AC1OJ4NK, AGN-PC-0D4YDL, SureCN470710, chloropropoxymethoxyphenylethanone, CTK5A7872, MolPort-002-841-590, AKOS000140889, AG-L-23720, MCULE-5513420428, RP13870, AB1004568, AM20090769, FT-0652604, FT-0664929, X6172

Molecular Formula: C12H15ClO3Molecular Weight: 242.698700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RBBVSSYQKVBALO-UHFFFAOYSA-N


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