 | | 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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 | | NSL | | Name: | 4-Hydroxyazobenzene | | Formula: | C12 H10 N2 O | | SMILES: | c1ccc(cc1)N=Nc2ccc(O)cc2 | | InChi: | InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+ | | Synonyms: | 4-[(E)-phenyldiazenyl]phenol | | Definition date: | 2019-04-15 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-24 | | Identifier: | 4-[(E)-phenyldiazenyl]phenol |
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 | | 2AL | | Name: | 1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA | | Formula: | C4 H4 N4 O3 | | SMILES: | O=C1C(=NC(=O)N1)NC(=O)N | | InChi: | InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11) | | Synonyms: | ALLANTOIN | | Definition date: | 2006-02-07 | | Last modified: | 2021-03-01 | | Identifier: | 1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea |
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 | | 2AQ | | Name: | QUINOLIN-2-AMINE | | Formula: | C9 H8 N2 | | SMILES: | n1c(ccc2ccccc12)N | | InChi: | InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) | | Synonyms: | 2-AMINOQUINOLINE | | Definition date: | 2007-01-12 | | Last modified: | 2021-03-01 | | Identifier: | quinolin-2-amine |
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 | | 2AR | | Name: | 2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE | | Formula: | C11 H16 N5 O5 P | | SMILES: | O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O | | InChi: | InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1 | | Synonyms: | [ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE | | Definition date: | 2000-05-04 | | Last modified: | 2021-03-01 | | Identifier: | [(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
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 | | 2BH | | Name: | [(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-) | | Formula: | C6 H13 B N O5 | | SMILES: | O=C(O)C(N)CC/C=C/[B-](O)(O)O | | InChi: | InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1 | | Synonyms: | DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID | | Definition date: | 2004-06-15 | | Last modified: | 2021-03-01 | | Identifier: | [(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-) |
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 | | 2BP | | Name: | 9H-purin-2-amine | | Formula: | C5 H5 N5 | | SMILES: | n1cc2ncnc2nc1N | | InChi: | InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10) | | Synonyms: | 2-AMINOPURINE | | Definition date: | 2009-02-05 | | Last modified: | 2021-03-01 | | Identifier: | 9H-purin-2-amine |
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 | | NUT | | Name: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one | | Formula: | C30 H30 Cl2 N4 O4 | | SMILES: | O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5 | | InChi: | InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1 | | Synonyms: | Nutlin 3a | | Definition date: | 2012-10-12 | | Last modified: | 2021-03-01 | | Release date: | 2013-04-24 | | Identifier: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one |
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 | | 2BT | | Name: | 2'-O-BUTYL-THYMIDINE | | Formula: | C14 H23 N2 O9 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCCC)COP(=O)(O)O | | InChi: | InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1 | | Synonyms: | 2'-O-BUTYL-5-METHYLURIDINE | | Definition date: | 2004-12-16 | | Last modified: | 2021-03-01 | | Identifier: | 2'-O-butyl-5-methyluridine 5'-(dihydrogen phosphate) |
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 | | 2BV | | Name: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid | | Formula: | C18 H28 Cl2 N O3 P | | SMILES: | Clc1ccc(cc1Cl)C(NCC(O)CP(=O)(O)CC2CCCCC2)C | | InChi: | InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1 | | Synonyms: | CGP 54626 | | Definition date: | 2013-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid |
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 | | NUZ | | Name: | [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone | | Formula: | C21 H19 Cl N4 O4 | | SMILES: | [O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4 | | InChi: | InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3 | | Synonyms: | nucleozin | | Definition date: | 2014-12-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-16 | | Identifier: | [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone |
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 | | 2BX | | Name: | [(2S)-5,5-dimethylmorpholin-2-yl]acetic acid | | Formula: | C8 H15 N O3 | | SMILES: | O=C(O)CC1OCC(NC1)(C)C | | InChi: | InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1 | | Synonyms: | SCH50911 | | Definition date: | 2013-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | [(2S)-5,5-dimethylmorpholin-2-yl]acetic acid |
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 | | NVE | | Name: | diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate | | Formula: | C27 H33 N4 O5 P | | SMILES: | O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC | | InChi: | InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3 | | Synonyms: | nevirapine phosphonate analogue | | Definition date: | 2012-12-03 | | Last modified: | 2021-03-01 | | Release date: | 2013-02-15 | | Identifier: | diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate |
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 | | 2RH | | Name: | (2R)-2-hydroxy-4-methylpentanoic acid | | Formula: | C6 H12 O3 | | SMILES: | O=C(O)C(O)CC(C)C | | InChi: | InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1 | | Synonyms: | (R)-2-hydroxyisocaproate | | Definition date: | 2010-07-28 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-hydroxy-4-methylpentanoic acid |
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 | | 2SA | | Name: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID | | Formula: | C14 H18 N5 O11 P | | SMILES: | O=C(O)CC(C(=O)O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1 | | Synonyms: | ADENYLOSUCCINIC ACID | | Definition date: | 2002-08-14 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)amino]butanedioic acid (non-preferred name) |
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 | | 2TA | | Name: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide | | Formula: | C27 H36 N6 O3 S | | SMILES: | O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCN3CCCC3)cc4 | | InChi: | InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) | | Synonyms: | Fedratinib | | Definition date: | 2014-01-28 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-26 | | Identifier: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide |
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 | | 2TC | | Name: | (4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBONITRILE | | Formula: | C22 H21 Cl N2 O7 | | SMILES: | O=C3CC(C2(OC(=O)c1c(O)ccc(Cl)c12)C)CC4C3(O)C(=O)C(C#N)=C(O)C4N(C)C | | InChi: | InChI=1S/C22H21ClN2O7/c1-21(16-12(23)4-5-13(26)15(16)20(30)32-21)9-6-11-17(25(2)3)18(28)10(8-24)19(29)22(11,31)14(27)7-9/h4-5,9,11,17,26,28,31H,6-7H2,1-3H3/t9-,11-,17-,21-,22-/m0/s1 | | Synonyms: | 7-CHLOR-2-CYANO-ISO-TETRACYCLINE | | Definition date: | 2010-02-18 | | Last modified: | 2021-03-01 | | Identifier: | (4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile |
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 | | NXK | | Name: | 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid | | Formula: | C16 H15 B F N O6 | | SMILES: | OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 | | InChi: | InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21) | | Synonyms: | 2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid | | Definition date: | 2020-01-06 | | Last modified: | 2021-03-01 | | Release date: | 2021-01-27 | | Identifier: | 2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid |
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 | | 2TN | | Name: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | | Formula: | C14 H22 N2 O3 | | SMILES: | O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1 | | InChi: | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1 | | Synonyms: | ATENOLOL | | Definition date: | 2006-11-16 | | Last modified: | 2021-03-01 | | Identifier: | 2-[4-({(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide |
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 | | 2TS | | Name: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide | | Formula: | C26 H36 Cl N7 O4 S | | SMILES: | O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CCCNC(=[N@H])N)CCC3 | | InChi: | InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1 | | Synonyms: | (S)-1-((R)-5-Guanidino-2-phenylmethanesulfonylamino-pentanoyl)-pyrrolidine-2-carboxylic acid 2aminomethyl-5-chloro-benzylamide | | Definition date: | 2008-10-01 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-(benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide |
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 | | 2TU | | Name: | 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | | Formula: | C9 H12 N2 O5 S | | SMILES: | O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2-thiouridine | | Definition date: | 2011-06-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
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 | | NZZ | | Name: | (2Z)-3,7-dimethylocta-2,6-dien-1-ol | | Formula: | C10 H18 O | | SMILES: | C/C(C)=C/CCC(C)=[C@H]CO | | InChi: | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- | | Synonyms: | nerol | | Definition date: | 2019-06-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-01 | | Identifier: | (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
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 | | 2W2 | | Name: | N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid | | Formula: | C11 H20 N4 O6 | | SMILES: | O=C(O)C(NC(C(=O)O)CCC(=O)O)CCCNC(=[N@H])N | | InChi: | InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1 | | Synonyms: | Nopaline | | Definition date: | 2014-02-28 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-22 | | Identifier: | N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid |
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 | | LMD | | Name: | tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C26 H50 O11 | | SMILES: | O(CCCCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | InChi: | InChI=1S/C26H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-25-23(33)21(31)24(18(16-28)36-25)37-26-22(32)20(30)19(29)17(15-27)35-26/h17-33H,2-16H2,1H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1 | | Synonyms: | n-Tetradecyl-b-D-maltopyranosid | | Definition date: | 2012-06-06 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | 2YQ | | Name: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one | | Formula: | C19 H14 F2 N6 O | | SMILES: | Fc1ccc(cc1)C5Nc2c3c(cc(F)c2)C(=O)NN=C3C5c4ncnn4C | | InChi: | InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | | Synonyms: | Talazoparib | | Definition date: | 2014-05-13 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-24 | | Identifier: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one |
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