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Profile: NorthCarolina Chemlabs specializes in manufacturing APIs & intermediates of anticancer pharmacy, especially in camptothecins and taxanes serials. Camptothecin serials include irinotecan hydrochloride, topotecan hydrochloride, 4-piperidinopiperidine, iodobenzene diacetate and 7-ethylcamptothecin. Paclitaxel serials include paclitaxel, docetaxel, docetaxel trihydrate and 10-deacetylbaccatin III.

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• Acetorphan

IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate | CAS Registry Number: 81110-73-8
Synonyms: Racecadotril, Retorphan, Sinorphan, ECADOTRIL, Prestwick_926, Racecadotril [INN], Prestwick0_000626, Prestwick1_000626, Prestwick2_000626, Prestwick3_000626, UNII-76K53XP4TO, BSPBio_000592, MLS000758279, MLS001423958, SPBio_002811, BPBio1_000652, C21H23NO4S, CID107751, NCGC00179511-01, CPD000449320

Molecular Formula:	C₂₁H₂₃NO₄S	Molecular Weight:	385.476620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ODUOJXZPIYUATO-UHFFFAOYSA-N

• Benzoyl chloride, 4-[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride;dihydrochloride | CAS Registry Number: 106261-64-7
Synonyms: 4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride, 4-((4-Methylpiperazin-1-yl)methyl)benzoyl chloride dihydrochloride, 4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride dihydrochloride, SBB067956, AKOS015909677, AK122823, KB-187142, FT-0658811, A801429, I14-3223, 4-[(4-methyl-1-piperazinyl)methyl]benzoyl chloride dihydrochloride

Molecular Formula:	C₁₃H₁₉Cl₃N₂O	Molecular Weight:	325.661760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DDKLQZDSVJKYLJ-UHFFFAOYSA-N

• Bicalutamide

IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90357-06-5
Synonyms: bicalutamide, Casodex, (R)-Bicalutamide, R-BICALUTAMIDE, Bicalutamide [USAN:BAN:INN], CHEBI:3090, STOCK6S-47735, 1z95, CID56069, DB01128, DB02932, ICI 176334, BRN 5364666, NCGC00167487-01, (2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE, (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide, (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide, Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-

Molecular Formula:	C₁₈H₁₄F₄N₂O₄S	Molecular Weight:	430.373373 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Boc-D-2-Bromophenylalanine

IUPAC Name: (2R)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | CAS Registry Number: 261360-76-3
Synonyms: ZINC02244126

Molecular Formula:	C₁₄H₁₇BrNO₄-	Molecular Weight:	343.193080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XDJSTMCSOXSTGZ-LLVKDONJSA-M

• Boc-D-4-Bromophenylalanine

IUPAC Name: (2R)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | CAS Registry Number: 79561-82-3
Synonyms: ZINC02560864, ZINC02562492, CID7020326

Molecular Formula:	C₁₄H₁₇BrNO₄-	Molecular Weight:	343.193080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ULNOXUAEIPUJMK-LLVKDONJSA-M

• Boc-D-Allylglycine.DCHA

IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate | CAS Registry Number: 170899-08-8
Synonyms: ZINC02379460, 2-[(tert-butoxycarbonyl)amino]pent-4-enoate, 4-pentenoato, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ion(1-), InChI=1/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/p-

Molecular Formula:	C₁₀H₁₆NO₄-	Molecular Weight:	214.238340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BUPDPLXLAKNJMI-SSDOTTSWSA-M

• Boc-D-Propargylglycine

IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate | CAS Registry Number: 63039-46-3
Synonyms: ZINC02379465

Molecular Formula:	C₁₀H₁₄NO₄-	Molecular Weight:	212.222460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: AMKHAJIFPHJYMH-SSDOTTSWSA-M

• Boc-L-4-Bromophenylalanine

IUPAC Name: (2S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 62129-39-9
Synonyms: Boc-D-4-Bromophenylalanine, BL036-1, TL8006684

Molecular Formula:	C₁₄H₁₈BrNO₄	Molecular Weight:	344.201020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ULNOXUAEIPUJMK-NSHDSACASA-N

• Boc-L-Allylglycine.DCHA

IUPAC Name: N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid | CAS Registry Number: 143979-15-1
Synonyms: Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)pent-4-enoate, Boc-L-2-allylglycine dicyclohexylamine salt, AC1MBSJ4, KSC914C5J, BOC-L-ALLYLGLYCINE DCHA, 09809_FLUKA, CTK8B4154, MolPort-001-758-713, ANW-44108, AKOS015948714, OR14670, AK-77725, Boc-L-Allylglycine dicyclohexylaminoium salt, KB-251364, Boc-allyl-Gly-OH (dicyclohexylammonium) salt, FT-0658051, FT-0679752, Boc-Allyl-L-glycine dicyclohexylammonium salt,, B-3533, Boc-L-2-allylglycine (dicyclohexylammonium) salt

Molecular Formula:	C₂₂H₄₀N₂O₄	Molecular Weight:	396.564000 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: VMCGMPITVQIMGK-ZLTKDMPESA-N

• Boc-L-Propargylglycine

IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid | CAS Registry Number: 63039-48-5
Synonyms: BL376-1

Molecular Formula:	C₁₀H₁₅NO₄	Molecular Weight:	213.230400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: AMKHAJIFPHJYMH-ZETCQYMHSA-N

• Brimonidine D-Tartrate

IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; (2R,3R)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 70359-46-5
Synonyms: Alphagan, brimonidine, Alphagan P, Brominide tartrate, brimonidine Purite, Alphagan (TN), BRIMONIDINE TARTRATE, UNII-4S9CL2DY2H, Brimonidine tartrate (USAN), Brimonidine tartrate [USAN], C11H10BrN5.C4H6O6, AGN 190342LF, 59803-98-4 (Parent), CID54405, LS-177484, D02076, brimonidine tartrate (1:1), (S-(R*,R*))-isomer, 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline D-tartrate (1:1), 79570-19-7, 109826-56-4

Molecular Formula:	C₁₅H₁₆BrN₅O₆	Molecular Weight:	442.221440 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: QZHBYNSSDLTCRG-LREBCSMRSA-N

• Creatine Phosphate Disodium Salt Tetrahydrate

IUPAC Name: disodium 2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid | CAS Registry Number: 922-32-7
Synonyms: Disodium phosphocreatine, Disodium creatine phosphate, Phosphocreatine, sodium salt, 27920_FLUKA, EINECS 213-074-6, Creatine phosphate disodium salt tetrahydrate, Sodium creatine phosphate dibasic tetrahydrate, Sarcosine, N-(phosphonoamidino)-, disodium salt, Glycine, N-(imino(phosphonoamino)methyl)-N-methyl-, disodium salt, 67-07-2

Molecular Formula:	C₄H₈N₃Na₂O₅P	Molecular Weight:	255.076721 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: RNTXMYSPASRLFT-UHFFFAOYSA-L

• D-2-Bromophenylalanine

IUPAC Name: (2R)-2-amino-3-(2-bromophenyl)propanoic acid | CAS Registry Number: 267225-27-4
Synonyms: 2-Bromo-D-phenylalanine, (R)-2-Amino-3-(2-bromophenyl)propanoic acid, (2R)-2-amino-3-(2-bromophenyl)propanoic acid, (R)-2-BromophenylalanineHydrochloride, PubChem17997, D-2-BROMOPHE, D-2-BR-PHE-OH, SureCN1250588, D-2-BR-PHE, D-PHE(2-BR)-OH, H-D-PHE(2-BR)-OH, O-BROMO-D-PHENYLALANINE, AC1OE041, CTK3J6884, (R)-2-BROMOPHENYLALANINE, MolPort-001-758-735, ANW-60513, AB13184, AC-5853, AM82700

Molecular Formula:	C₉H₁₀BrNO₂	Molecular Weight:	244.085200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: JFVLNTLXEZDFHW-MRVPVSSYSA-N

• D-2-Cyanophenylalarine

IUPAC Name: (2R)-2-amino-3-(2-cyanophenyl)propanoic acid | CAS Registry Number: 263396-41-4
Synonyms: D-2-Cyanophenylalanine, 2-Cyano-D-phenylalanine, D-2- Cyanophenylalanine, (2R)-2-amino-3-(2-cyanophenyl)propanoic Acid, SureCN2030783, CTK8E3999, MolPort-003-793-969, AKOS006345216, AC-5871, AM82757, AK109493, KB-49526, M236, TL8002101, FT-0644165, (R)-2-Amino-3-(2-cyanophenyl)propanoic acid

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OCDHPLVCNWBKJN-SECBINFHSA-N

• D-3,3-Diphenylalanine

IUPAC Name: (2R)-2-amino-3,3-diphenylpropanoic acid | CAS Registry Number: 149597-91-1
Synonyms: 3,3-Diphenyl-D-alanine, (2R)-2-amino-3,3-diphenylpropanoic acid, SBB067472, beta-Phenyl-D-phenylalanine, (R)-2-amino-3,3-diphenylpropanoic acid, (S)-2-amino-3,3-diphenylpropanoic acid, (R)-2-Amino-3,3-diphenylpropionic acid, 149597-92-2, PubChem18699, L-3,3'-Biphenylalanine, SureCN502830, AC1LU53H, 89351_ALDRICH, 89351_FLUKA, CTK8C5989, MolPort-001-758-820, AKOS015912122, AC-4456, OR14743, AK111229

Molecular Formula:	C₁₅H₁₅NO₂	Molecular Weight:	241.285100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PECGVEGMRUZOML-CQSZACIVSA-N

• D-3-(1-Naphthyl)-alanine

IUPAC Name: (2R)-2-amino-3-naphthalen-1-ylpropanoic acid | CAS Registry Number: 78306-92-0
Synonyms: 3-(1-Naphthyl)-D-alanine, D-1-Naphthylalanine, (2R)-2-amino-3-naphthalen-1-ylpropanoic acid, 3-(Naphth-1-yl)-D-alanine, D-3-(1-NAPHTHYL)ALANINE, AmbotzHAA6200, 1-[(2R)-2-Amino-2-carboxyethyl]naphthalene, (2R)-2-Amino-3-(naphth-1-yl)propionic acid, AC1OCTRY, PubChem12302, SureCN660499, KSC491O8L, N5887_SIGMA, 3-(Naphth-1-yl)-L-alanine, H-D-ALA(1-NAPH)-OH, CTK3J1785, 3-(1-NAPHTHYL)-D-ALA, MolPort-001-758-756, D-3-ALA(1-NAPHTHYL)-OH, BETA-(1-NAPHTHYL)-D-ALANINE

Molecular Formula:	C₁₃H₁₃NO₂	Molecular Weight:	215.247820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OFYAYGJCPXRNBL-GFCCVEGCSA-N

• D-3-(1-naphthyl)alanine

IUPAC Name: (2S)-2-amino-3-naphthalen-1-ylpropanoic acid | CAS Registry Number: 55516-54-6
Synonyms: L-1-Naphthylalanine, 3-(1-Naphthyl)-L-alanine, N1521_SIGMA, AL101-1, ST5307256, TL8003623, (S)-alpha-Amino-1-naphthalenepropanoic acid

Molecular Formula:	C₁₃H₁₃NO₂	Molecular Weight:	215.247820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OFYAYGJCPXRNBL-LBPRGKRZSA-N

• D-3-Cyanophenylalanine

IUPAC Name: (2R)-2-amino-3-(3-cyanophenyl)propanoic acid | CAS Registry Number: 263396-43-6
Synonyms: 3-Cyano-D-Phenylalanine, SureCN838038, CTK8E4450, MolPort-003-793-971, AKOS006346478, AM82765, AK109494, KB-31443, TL8002102, (2R)-2-amino-3-(3-cyanophenyl)propanoic acid, (R)-2-Amino-3-(3-cyanophenyl)propanoic acid

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZHUOMTMPTNZOJE-SECBINFHSA-N

• D-4-Cyanophenylalanine

IUPAC Name: (2R)-2-amino-3-(4-cyanophenyl)propanoic acid | CAS Registry Number: 263396-44-7
Synonyms: 4-Cyano-D-Phenylalanine, (2R)-2-amino-3-(4-cyanophenyl)propanoic acid, (R)-2-Amino-3-(4-cyanophenyl)propanoic acid, AmbotzHAA7570, PubChem13160, PubChem18610, AC1LT3NC, (D)-4-Cyanophenylalanine, SureCN838534, H-D-Phe(4-CN)-OH, CTK8E9381, MolPort-000-002-485, AM82774, AK117406, KB-38390, TL8002103, C22100, (2R)-2-azanyl-3-(4-cyanophenyl)propanoic acid, A818394

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KWIPUXXIFQQMKN-SECBINFHSA-N

• D-Allylglycine

IUPAC Name: (2R)-2-aminopent-4-enoic acid;hydrochloride | CAS Registry Number: 108412-04-0
Synonyms: (R)-2-Aminopent-4-enoic acid hydrochloride, (2R)-2-aminopent-4-enoic acid hydrochloride, (R)-2-Amino-4-pentenoic Acid Hydrochloride, D-2-Allylglycine Hydrochloride, CTK8B7834, ANW-58730, AKOS016002085, AM82408, RP21523, AK-70926, KB-40206, 4-Pentenoic acid,2-amino-,hydrochloride (1:1),(2R)-, 4-Pentenoic acid, 2-amino-, hydrochloride (1:1), (2R)-

Molecular Formula:	C₅H₁₀ClNO₂	Molecular Weight:	151.591400 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: DIDZZOWASZMNQW-PGMHMLKASA-N

• D-Beta-Homophenylglycine hydrochloride

IUPAC Name: (3S)-3-amino-3-phenylpropanoic acid;hydrochloride | CAS Registry Number: 83649-47-2
Synonyms: (S)-(-)-3-Amino-3-phenylpropionic acid hydrochloride, (S)-3-Amino-3-phenylpropionic Acid Hydrochloride, (S)-(+)-3-Amino-3-phenylpropionic acid hydrochloride, PubChem5926, (S)-3-Amino-3-phenylpropanoicAcidHydrochloride, (S)-3-amino-3-phenylpropanoic acid hydrochloride, SureCN3874351, CTK3E8084, MolPort-003-983-931, ANW-57953, AC-5693, AG-H-33753, LS30296, RL05165, (S)-3-Phenyl-|A-alanine Hydrochloride, AK-24698, KB-05329, LS-16196, AB1003143, TL8005488

Molecular Formula:	C₉H₁₂ClNO₂	Molecular Weight:	201.650080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: ABEBCTCOPRULFS-QRPNPIFTSA-N

• D-Propargylglycine

IUPAC Name: (2R)-2-aminopent-4-ynoic acid | CAS Registry Number: 87205-47-8
Synonyms: (R)-2-Aminopent-4-ynoic acid, 23235-03-2, AmbotzHAA6490, C5H7NO2, propargylglycine, (R)-isomer, 2-Amino-pent-4-ynoic acid;, CHEMBL51369, CTK8B3701, MolPort-003-793-975, ANW-42962, AG-E-67594, AK107685, KB-50452, KB-209885, LS-102303

Molecular Formula:	C₅H₇NO₂	Molecular Weight:	113.114580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DGYHPLMPMRKMPD-SCSAIBSYSA-N

• D-Styrylalanine

IUPAC Name: (2R)-2-amino-5-phenylpent-4-enoic acid | CAS Registry Number: 264903-53-9
Synonyms: 3-Styryl-D-alanine, SureCN3579939, CTK8E4502, CTK8F5202

Molecular Formula:	C₁₁H₁₃NO₂	Molecular Weight:	191.226420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MCGSKGBMVBECNS-SNVBAGLBSA-N

• Docetaxel

Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula:	C₄₃H₅₃NO₁₄	Molecular Weight:	807.879220 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Erlotinib

IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine | CAS Registry Number: 183321-74-6
Synonyms: Tarceva, erlotinib HCl, Erlotinib [INN], Erlotinib(Tarceva), nchembio866-comp3, OSI-774, STOCK6S-52681, CID176870, DB00530, NCGC00164574-01, BCB03_000783, CP 358774, CP-358774, LS-184395, CP 358,774, CP-358,774, K00241, C400278, N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine, 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-

Molecular Formula:	C₂₂H₂₃N₃O₄	Molecular Weight:	393.435720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

• Exemestane

IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione | CAS Registry Number: 107868-30-4
Synonyms: EXEMESTANE, Aromasin, Aromasil, Aromasine, Nikidess, Aromasin (TN), Exemestanum [INN-Latin], Exemestano [INN-Spanish], Ambap3895, Curator_000009, Fce 24304, Exemestane [USAN:INN:BAN], Exemestane (JAN/USP/INN), Pharmacia brand of exemestane, MLS000759419, MLS001424062, FCE-24304, HSDB 7463, Pharmacia Spain brand of exemestane, C20H24O2

Molecular Formula:	C₂₀H₂₄O₂	Molecular Weight:	296.403360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BFYIZQONLCFLEV-DAELLWKTSA-N

• Fmoc-O-(benzylphospho)-L-serine

IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxypropanoic acid | CAS Registry Number: 158171-14-3
Synonyms: Fmoc-Ser(PO3BzlH)-OH, Fmoc-O-benzyl-L-phosphoserine, 09769_FLUKA, FL330-1, TL8006199

Molecular Formula:	C₂₅H₂₄NO₈P	Molecular Weight:	497.433721 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: ZBPUWGDUVAAWJY-QHCPKHFHSA-N

• Fmoc-O-(benzylphospho)-L-threonine

IUPAC Name: (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy(phenylmethoxy)phosphoryl]oxybutanoic acid | CAS Registry Number: 175291-56-2
Synonyms: Fmoc-O-benzyl-L-phosphothreonine, FL332-1

Molecular Formula:	C₂₆H₂₆NO₈P	Molecular Weight:	511.460301 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: HOFDVXHILSPFNS-BXKMTCNYSA-N

• Gefitinib

IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine | CAS Registry Number: 184475-35-2
Synonyms: Iressa, Irressat, Gefitini; Iressa, Gefitinib [USAN], Iressa (TN), nchembio866-comp14, nchembio.117-comp18, ZD1839, KBioSS_002241, Gefitinib (JAN/USAN/INN), ZD 1839, CCRIS 9011, STOCK6S-52331, CHEBI:49668, ZD-1839, CID123631, NSC715055, DB00317, NCGC00159455-02, NCGC00159455-03

Molecular Formula:	C₂₂H₂₄ClFN₄O₃	Molecular Weight:	446.902363 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N

• Hydroxycamptothecin

Synonyms: CHEBI:107427, PubChem13091, AC1N7NVD, Neuro_000051, AGN-PC-001FGE, SureCN9384413, Bio-0126, H3148_FLUKA, H3148_SIGMA, AKOS015901897, TL8000524, N1591, I14-1454, S06-0011, (+/-)-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLINE-3,14(4H,12H)-DIONE

Molecular Formula:	C₂₀H₁₆N₂O₅	Molecular Weight:	364.351440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HAWSQZCWOQZXHI-UHFFFAOYSA-N

• Imatinib

IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 152459-95-5
Synonyms: Glivec, Gleevec, Imatinib mesylate, 1iep, 1xbb, sti-571, nchembio.83-comp14, Imatinib [INN:BAN], Imatinib Methansulfonate, nchembio.117-comp23, STI 571, Cgp 57148, CGP 57148B, CCRIS 9076, STI571, STOCK6S-47743, CHEBI:45783, CID5291, DB00619, DB03261

Molecular Formula:	C₂₉H₃₁N₇O	Molecular Weight:	493.602740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

• Iodobenzene Diacetate

IUPAC Name: [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate | CAS Registry Number: 3240-34-4
Synonyms: Iodobenzene diacetate, Phenyliodo diacetate, Phenyliodoso acetate, (Diacetoxyiodo)benzene, Phenyliodine diacetate, Phenyliodoso diacetate, Phenyliodosodiacetate, Iodosobenzene diacetate, Iodosobenzenediacetate, Bis(acetato)phenyliodine, Phenyliodosyl diacetate, Benzene, (diacetoxyiodo)-, Benzene, iodoso-, diacetate, Bis(acetato-O)phenyliodine, Phenyliodine(III) diacetate, Iodobenzene I,I-diacetate, Iodosobenzene I,I-diacetate, Iodine, bis(acetato-O)phenyl-, 178721_ALDRICH, Iodine, bis(acetato-kappaO)phenyl-

Molecular Formula:	C₁₀H₁₁IO₄	Molecular Weight:	322.096410 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZBIKORITPGTTGI-UHFFFAOYSA-N

• Irinotecan

Synonyms: Topotecin, Campto, Camptosar, irinotecan, Irinotecan Hcl, Irinotecan hydrochloride, Camptothecin 11, Camptothecin analog, Ambap2597, CPT 11, Camptothecin 11 hydrochloride, CPT-11, SPECTRUM1505821, NSC616348, DQ-2805, NSC-616348, U 101440E, NCGC00095190-01, NCGC00095190-02, LS-44591

Molecular Formula:	C₃₃H₃₉ClN₄O₆	Molecular Weight:	623.138960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: GURKHSYORGJETM-WAQYZQTGSA-N

• Irinotecan Free Base

Synonyms: irinotecan, Camptosar, Irinotecanum, (+)-Irinotecan, Irinotecan hydrochloride, Irinotecanum [INN-Latin], Irinotecan [INN:BAN], IRINOTECAN, CPT-11, BSPBio_002346, Bio-0054, CPT-11, HSDB 7607, 1u65, CHEBI:105985, AIDS108177, C33H38N4O6, AIDS-108177, CID60838, NSC728073, DB00762

Molecular Formula:	C₃₃H₃₈N₄O₆	Molecular Weight:	586.678020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-N

• Irinotecan HCl

Synonyms: Camptosar, Campto, Campto (TN), Irinotecan hydrochloride, CPT 11, CPT-11, Irinotecan hydrochloride hydrate, Irinotecan hydrochloride (USAN), Irinotecan hydrochloride [USAN:JAN], C35H41N3O5.3H2O.HCl, Irinotecan hydrochloride hydrate (JAN), IRINOTECAN HYDROCHLORIDE Trihydrate, LS-44590, D01061, (+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate, (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, trihydrate, (S)-, (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride,trihydrate, (S)-

Molecular Formula:	C₃₃H₄₅ClN₄O₉	Molecular Weight:	677.184800 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: KLEAIHJJLUAXIQ-JDRGBKBRSA-N

• L-2-Bromophenylalanine

IUPAC Name: (2S)-2-amino-3-(2-bromophenyl)propanoic acid | CAS Registry Number: 42538-40-9
Synonyms: 2-Bromophenylalanine, o-Bromo-L-phenylalanine, Phenylalanine, 2-bromo-, AL290-1, TL8003023, A00199, 1991-79-3

Molecular Formula:	C₉H₁₀BrNO₂	Molecular Weight:	244.085200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: JFVLNTLXEZDFHW-QMMMGPOBSA-N

• L-2-Cyanophenylalarine

IUPAC Name: (2S)-2-amino-3-(2-cyanophenyl)propanoic acid | CAS Registry Number: 263396-42-5
Synonyms: D-2-Cyanophenylalanine, L-2-Cyanophenylalanine, AL232-1, TL8002100

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OCDHPLVCNWBKJN-VIFPVBQESA-N

• L-3,3-Diphenylalanine

IUPAC Name: (2S)-2-amino-3,3-di(phenyl)propanoic acid | CAS Registry Number: 149597-92-2
Synonyms: 3,3-Diphenylalanine, 3,3-Diphenyl-L-alanine, beta-Phenyl-L-phenylalanine, Phenylalanine, beta-phenyl-, 86998_FLUKA, AL502-1, (S)-2-Amino-3,3-diphenylpropionic acid, TL8001079, 62653-26-3

Molecular Formula:	C₁₅H₁₅NO₂	Molecular Weight:	241.285100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PECGVEGMRUZOML-AWEZNQCLSA-N

• L-3-Cyanophenylalanine

IUPAC Name: (2S)-2-azaniumyl-3-(3-cyanophenyl)propanoate | CAS Registry Number: 57213-48-6
Synonyms: ZINC02556575

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZHUOMTMPTNZOJE-VIFPVBQESA-N

• L-4-Cyanophenylalanine

IUPAC Name: (2S)-2-azaniumyl-3-(4-cyanophenyl)propanoate | CAS Registry Number: 167479-78-9
Synonyms: ZINC04202289, CID7128311

Molecular Formula:	C₁₀H₁₀N₂O₂	Molecular Weight:	190.198600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KWIPUXXIFQQMKN-VIFPVBQESA-N

• L-Allylglycine

IUPAC Name: (2S)-2-aminopent-4-enoic acid | CAS Registry Number: 195316-72-4
Synonyms: (-)-Allylglycine, Lopac-A-7762, Lopac0_000141, L-2-Amino-4-pentenoic acid, A7762_SIGMA, 285013_ALDRICH, 05958_FLUKA, SBB006743, 4-Pentenoic acid, 2-amino-, (S)-, AL359-1, NCGC00015091-01, NCGC00093631-01, NCGC00093631-02, EU-0100141, (S)-(−)-2-Amino-4-pentenoic acid, 16338-48-0

Molecular Formula:	C₅H₉NO₂	Molecular Weight:	115.130460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WNNNWFKQCKFSDK-BYPYZUCNSA-N

• L-Beta-Homophenylglycine hydrochloride

IUPAC Name: (3R)-3-amino-3-phenylpropanoic acid | CAS Registry Number: 83649-48-3
Synonyms: (R)-3-amino-3-phenylpropionic acid, AL380-1, TL8000892

Molecular Formula:	C₉H₁₁NO₂	Molecular Weight:	165.189140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: UJOYFRCOTPUKAK-MRVPVSSYSA-N

• L-Propargylglycine

IUPAC Name: (2S)-2-aminopent-4-ynoic acid | CAS Registry Number: 198774-27-5
Synonyms: Propargylglycine, L-PROPARGYLGLYCINE, (S)-2-Amino-4-pentynoic acid, (2S)-2-amino-4-Pentynoic acid, CID168091, 4-Pentynoic acid, 2-amino-, (S)-, AL376-1, TL8001933, 23235-01-0

Molecular Formula:	C₅H₇NO₂	Molecular Weight:	113.114580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DGYHPLMPMRKMPD-BYPYZUCNSA-N

• L-Styrylalanine

IUPAC Name: (E,2S)-2-amino-5-phenylpent-4-enoic acid | CAS Registry Number: 267650-37-3
Synonyms: AL372-1

Molecular Formula:	C₁₁H₁₃NO₂	Molecular Weight:	191.226420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MCGSKGBMVBECNS-QBBOHKLWSA-N

• Methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoate

IUPAC Name: methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate | CAS Registry Number: 106685-41-0
Synonyms: Methyl 6-(3-(adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate, Mehtyl 6-[3-(1-adamanty)-4-methoxy phenyl]-2-naphthoate, Adapalene Methyl Ester, SureCN641921, CTK8B4360, MolPort-005-938-305, ANW-44837, FD7378, Methyl 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylate, ZINC21992379, AKOS015851510, AKOS015895357, AC-3392, AK-88807, S356, KB-203086, FT-0642627, ST51052832, A801484, I06-0730

Molecular Formula:	C₂₉H₃₀O₃	Molecular Weight:	426.546700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PGXNMQBGOVUZNC-UHFFFAOYSA-N

• Methyl 6-bromo-2-naphthoate

IUPAC Name: methyl 6-bromonaphthalene-2-carboxylate | CAS Registry Number: 33626-98-1
Synonyms: 539406_ALDRICH, ZINC00404006, TL8002534, A3998/0170418

Molecular Formula:	C₁₂H₉BrO₂	Molecular Weight:	265.102660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JEUBRLPXJZOGPX-UHFFFAOYSA-N

• Methylcobalamine

IUPAC Name: carbanide; cobalt(3+); [(2S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate | CAS Registry Number: 13422-55-4
Synonyms: Adestolmin, Mecobalamin, Adestolmin (TN), Mecobalamin (JP15/USAN), D03246

Molecular Formula:	C₆₃H₉₁CoN₁₃O₁₄P	Molecular Weight:	1344.382301 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	21

InChIKey: ZFLASALABLFSNM-LEYWJKRPSA-L

• N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamine

IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine | CAS Registry Number: 152460-09-8
Synonyms: N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine, AG-D-99759, N-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine, F9995-0184, N-(2-Methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine, 2-Pyrimidinamine,N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-, (2-Methyl-4-nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine, SureCN1550, ACMC-1C66W, KSC527I5D, CHEMBL20426, PYR402, Jsp002937, CTK4C7451, CHEBI:124727, MolPort-003-849-005, ACT04899, N-(2-methyl-5-nitro-phenyl)-4-pyridin-3-yl-pyrimidin-2-amine, ANW-41942, ZINC21298122

Molecular Formula:	C₁₆H₁₃N₅O₂	Molecular Weight:	307.306720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: OJITWRFPRCHSMX-UHFFFAOYSA-N

• N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine

IUPAC Name: 4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine | CAS Registry Number: 152460-10-1
Synonyms: N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine, F9995-0188, 4-Methyl-N3-(4-phenylpyrimidine-2-yl)benzene-1,3-diamine, N-(5-Amino-2-methylphenyl)-4-(3-pridyl)-2-pyrimidineamine, 4-methyl-n'-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine, 4-Methyl-N'-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine, zlchem 1354, PubChem18212, SureCN2392, ACMC-209d7r, KSC174K2P, BEN021, CHEMBL278103, Jsp002938, CTK0H4527, ZLE0132, CHEBI:124728, MolPort-003-889-278, ACN-S002009, ACT04895

Molecular Formula:	C₁₆H₁₅N₅	Molecular Weight:	277.323800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: QGAIPGVQJVGBIA-UHFFFAOYSA-N

• N-[4-cyano-3-(trifluoromethyl)phenyl]-2- Methyl-2-oxiranecarboxamide

IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide | CAS Registry Number: 90357-51-0
Synonyms: N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide, N-[4-Cyano-3-(trifluoromethyl)phenyl]methacrylamideepoxide, 4-Cyano-N-(2,3-epoxy-2-methylpropionyl)-3-trifluoromethylaniline, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide, PubChem13753, CTK7C8181, MolPort-003-987-413, ANW-46088, SBB067010, AKOS015900542, AC-1069, AG-A-74560, BD23063, LS10139, AK-44139, TL8005815, AM20041370, A10788, I14-0484

Molecular Formula:	C₁₂H₉F₃N₂O₂	Molecular Weight:	270.207270 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: UQUQTWDUTIAAAY-UHFFFAOYSA-N