 | | NIL | | Name: | Nilotinib | | Formula: | C28 H22 F3 N7 O | | SMILES: | FC(F)(F)c1cc(cc(c1)n2cc(nc2)C)NC(=O)c5ccc(c(Nc4nc(c3cccnc3)ccn4)c5)C | | InChi: | InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | | Synonyms: | 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | | Definition date: | 2008-04-11 | | Last modified: | 2021-03-01 | | Identifier: | 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide |
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 | | NIZ | | Name: | pyridine-4-carbohydrazide | | Formula: | C6 H7 N3 O | | SMILES: | O=C(NN)c1ccncc1 | | InChi: | InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10) | | Synonyms: | isonicotinic acid hydrazid | | Definition date: | 2010-05-21 | | Last modified: | 2021-03-01 | | Identifier: | pyridine-4-carbohydrazide |
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 | | 485 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID | | Formula: | C17 H24 N2 O8 | | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2OC(C(O)C(O)C2O)C | | InChi: | InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1 | | Synonyms: | SB-284485 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | 3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-galacto-octonic acid |
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 | | 48U | | Name: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide | | Formula: | C19 H19 Cl F N3 O4 S2 | | SMILES: | Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(C(=O)N(C)C)cc1F)CC2)cc3 | | InChi: | InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1 | | Synonyms: | GTC000101 | | Definition date: | 2015-02-13 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-30 | | Identifier: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide |
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 | | 49X | | Name: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol | | Formula: | C39 H67 N O8 | | SMILES: | O=C(NC(/C=C/C1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2 | | InChi: | InChI=1S/C39H67NO8/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-32(42)36(44)31(27-28-33-37(45)39(47)38(46)34(29-41)48-33)40-35(43)26-21-15-12-13-17-22-30-23-18-16-19-24-30/h16,18-19,23-24,27-28,31-34,36-39,41-42,44-47H,2-15,17,20-22,25-26,29H2,1H3,(H,40,43)/b28-27+/t31-,32+,33+,34+,36-,37-,38-,39+/m0/s1 | | Synonyms: | GCK152 | | Definition date: | 2015-02-18 | | Last modified: | 2021-03-01 | | Release date: | 2015-05-27 | | Identifier: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol |
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 | | NLI | | Name: | N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide | | Formula: | C18 H23 F2 N7 O3 | | SMILES: | O=C(NCCONC(=[N@H])N)CN1C(=CN=C(C1=O)NCC(F)(F)c2ccccc2)C | | InChi: | InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26) | | Synonyms: | RWJ-671818 | | Definition date: | 2010-04-15 | | Last modified: | 2021-03-01 | | Identifier: | N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide |
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 | | NLN | | Name: | NORLEUCINE AMIDE | | Formula: | C6 H14 N2 O | | SMILES: | O=C(N)C(N)CCCC | | InChi: | InChI=1S/C6H14N2O/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1 | | Synonyms: | 2-AMINO-HEXANOIC ACID AMIDE | | Definition date: | 2000-02-02 | | Last modified: | 2021-03-01 | | Identifier: | L-norleucinamide |
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 | | NLP | | Name: | (1-AMINO-PENTYL)-PHOSPHONIC ACID | | Formula: | C5 H14 N O3 P | | SMILES: | O=P(O)(O)C(N)CCCC | | InChi: | InChI=1S/C5H14NO3P/c1-2-3-4-5(6)10(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m1/s1 | | Synonyms: | NORLEUCINE PHOSPHONATE | | Definition date: | 1999-07-28 | | Last modified: | 2021-03-01 | | Identifier: | [(1R)-1-aminopentyl]phosphonic acid |
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 | | 4AD | | Name: | 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C14 H21 N7 O9 P | | SMILES: | O=C(N)CC(C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+] | | InChi: | InChI=1S/C14H20N7O9P/c15-5(1-7(16)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)21-4-20-8-11(17)18-3-19-12(8)21/h3-6,9-10,13,23-24H,1-2,15H2,(H2,16,22)(H,26,27)(H2,17,18,19)/p+1/t5-,6+,9+,10+,13+/m0/s1 | | Synonyms: | ASNAMP | | Definition date: | 2005-05-20 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(R)-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | NLX | | Name: | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM | | Formula: | C20 H24 N O4 | | SMILES: | O=C5C3Oc1c2c(ccc1O)CC4C(O)(C23CC[N+]4(C)C/C=C)CC5 | | InChi: | InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1 | | Synonyms: | N-METHYLNALOXONIUM | | Definition date: | 2002-10-24 | | Last modified: | 2021-03-01 | | Identifier: | (5alpha,17S)-3,14-dihydroxy-17-methyl-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium |
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 | | NM1 | | Name: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE | | Formula: | C34 H37 N3 O7 S | | SMILES: | O=S2(=O)N(C(C(O)C(O)C(N2Cc1cc(C(=O)NC)ccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5 | | InChi: | InChI=1S/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1 | | Synonyms: | AHA047 | | Definition date: | 2000-10-30 | | Last modified: | 2021-03-01 | | Identifier: | 3-{[(3R,4S,5S,6R)-7-benzyl-4,5-dihydroxy-1,1-dioxido-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide |
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 | | 4AT | | Name: | 5-OXOHEXANOIC ACID | | Formula: | C6 H10 O3 | | SMILES: | O=C(C)CCCC(=O)O | | InChi: | InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9) | | Synonyms: | 4-ACETYLBUTYRIC ACID | | Definition date: | 2007-02-28 | | Last modified: | 2021-03-01 | | Identifier: | 5-oxohexanoic acid |
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 | | NMG | | Name: | GUANIDINO ACETATE | | Formula: | C3 H7 N3 O2 | | SMILES: | O=C(O)CNC(=[N@H])N | | InChi: | InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) | | Synonyms: | N-[AMINO(IMINO)METHYL]GLYCINE | | Definition date: | 2004-09-21 | | Last modified: | 2021-03-01 | | Identifier: | N-carbamimidoylglycine |
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 | | 4BQ | | Name: | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | | Formula: | C18 H20 N2 O4 | | SMILES: | O=C(O)C(N)CCC(=O)Nc2ccc(OCc1ccccc1)cc2 | | InChi: | InChI=1S/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1 | | Synonyms: | N-[4-(phenylmethoxy)phenyl]-L-glutamine | | Definition date: | 2008-03-14 | | Last modified: | 2021-03-01 | | Identifier: | N-[4-(benzyloxy)phenyl]-L-glutamine |
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 | | NND | | Name: | (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL | | Formula: | C15 H31 N O4 | | SMILES: | OCC1N(CCCCCCCCC)CC(O)C(O)C1O | | InChi: | InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1 | | Synonyms: | N-NONYL-DEOXYNOJIRIMYCIN | | Definition date: | 2007-06-18 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol |
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 | | 4C0 | | Name: | 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine | | Formula: | C19 H19 N3 O3 | | SMILES: | O=C(O)C(NC(=O)CCc1ccccc1)Cc3nc2ccccc2n3 | | InChi: | InChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1 | | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-(3-phenyl-propionylamino)-propionic acid | | Definition date: | 2009-10-22 | | Last modified: | 2021-03-01 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine |
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 | | 4CS | | Name: | (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID | | Formula: | C6 H10 N2 O2 | | SMILES: | O=C(O)C1N=C(NCC1)C | | InChi: | InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 | | Synonyms: | ECTOINE | | Definition date: | 2007-06-15 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | NOG | | Name: | 13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE | | Formula: | C21 H28 O2 | | SMILES: | O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC)CC4 | | InChi: | InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1 | | Synonyms: | NORGESTREL | | Definition date: | 2002-04-29 | | Last modified: | 2021-03-01 | | Identifier: | (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) |
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 | | NOJ | | Name: | 1-DEOXYNOJIRIMYCIN | | Formula: | C6 H13 N O4 | | SMILES: | OC1C(NCC(O)C1O)CO | | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 | | Synonyms: | MORANOLINE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | 4D8 | | Name: | (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid | | Formula: | C29 H46 O3 | | SMILES: | O=C(O)C1(C2CCC3=C(C2(CCC1O)C)CCC4(C)C(C(C)CCC=C(/C)C)CCC34)C | | InChi: | InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1 | | Synonyms: | 4alpha-carboxy-4beta-methyl-zymosterol | | Definition date: | 2015-01-29 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-11 | | Identifier: | (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid |
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 | | NOT | | Name: | 6-azido-L-norleucine | | Formula: | C6 H12 N4 O2 | | SMILES: | [N-]=[N+]=N/CCCCC(N)C(=O)O | | InChi: | InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1 | | Synonyms: | AZIDONORLEUCINE | | Definition date: | 2009-05-08 | | Last modified: | 2021-03-01 | | Identifier: | 6-azido-L-norleucine |
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 | | 4DW | | Name: | N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid | | Formula: | C20 H19 N5 O6 | | SMILES: | c1(ccc(cc1)C(=O)NC(C(O)=O)[C@H]=[C@H]C(=O)O)CCc2c3c(nc2)NC(=NC3=O)N | | InChi: | InChI=1S/C20H19N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,7-9,13H,3,6H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/b8-7+/t13-/m0/s1 | | Synonyms: | pemetrexed | | Definition date: | 2015-03-05 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-16 | | Identifier: | (2E,4S)-4-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pent-2-enedioic acid |
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 | | NPX | | Name: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid | | Formula: | C14 H14 O3 | | SMILES: | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C | | InChi: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1 | | Synonyms: | (R)-Naproxen | | Definition date: | 2007-10-04 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
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 | | NRN | | Name: | (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol | | Formula: | C10 H13 N5 O3 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O | | InChi: | InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1 | | Synonyms: | noraristeromycin | | Definition date: | 2015-07-31 | | Last modified: | 2021-03-01 | | Release date: | 2016-07-27 | | Identifier: | (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol |
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 | | NSK | | Name: | N-SUCCINYL LYSINE | | Formula: | C10 H18 N2 O5 | | SMILES: | O=C(NC(C(=O)O)CCCCN)CCC(=O)O | | InChi: | InChI=1S/C10H18N2O5/c11-6-2-1-3-7(10(16)17)12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE | | Definition date: | 2007-04-05 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-(3-carboxypropanoyl)-L-lysine |
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