 | | 03G | | Name: | N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | Formula: | C17 H24 Cl N3 O2 | | SMILES: | Clc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C | | InChi: | InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23) | | Synonyms: | NBD-556 | | Definition date: | 2011-08-24 | | Last modified: | 2021-03-01 | | Identifier: | N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide |
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 | | 03H | | Name: | (2S)-2-chloro-4-methylpentanoic acid | | Formula: | C6 H11 Cl O2 | | SMILES: | ClC(C(=O)O)CC(C)C | | InChi: | InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 | | Synonyms: | (S)-alpha-chloroisocaproate | | Definition date: | 2011-09-28 | | Last modified: | 2021-03-01 | | Release date: | 2012-09-28 | | Identifier: | (2S)-2-chloro-4-methylpentanoic acid |
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 | | 03P | | Name: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | | Formula: | C26 H25 Cl F3 N5 O3 | | SMILES: | FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CC(O)(C)C)ccc4 | | InChi: | InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34) | | Synonyms: | TAK-285 | | Definition date: | 2010-11-30 | | Last modified: | 2021-03-01 | | Identifier: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide |
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 | | 04G | | Name: | 7-hydroxy-3H-phenoxazin-3-one | | Formula: | C12 H7 N O3 | | SMILES: | O=C2C=CC1=Nc3c(OC1=C2)cc(O)cc3 | | InChi: | InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H | | Synonyms: | RESORUFIN | | Definition date: | 2011-10-19 | | Last modified: | 2021-03-01 | | Identifier: | 7-hydroxy-3H-phenoxazin-3-one |
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 | | 04M | | Name: | 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid | | Formula: | C26 H35 N O7 S | | SMILES: | O=S(=O)(N1CCOCC1)c3cc(C(=O)O)c(OCc2cccc(OCCCCCCCC)c2)cc3 | | InChi: | InChI=1S/C26H35NO7S/c1-2-3-4-5-6-7-15-33-22-10-8-9-21(18-22)20-34-25-12-11-23(19-24(25)26(28)29)35(30,31)27-13-16-32-17-14-27/h8-12,18-19H,2-7,13-17,20H2,1H3,(H,28,29) | | Synonyms: | BPH-1158 | | Definition date: | 2011-06-16 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-07 | | Identifier: | 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid |
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 | | 04W | | Name: | 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid | | Formula: | C24 H31 N O6 | | SMILES: | [O-][N+](=O)c2ccc(OCc1cccc(OCCCCCCCCCC)c1)c(c2)C(=O)O | | InChi: | InChI=1S/C24H31NO6/c1-2-3-4-5-6-7-8-9-15-30-21-12-10-11-19(16-21)18-31-23-14-13-20(25(28)29)17-22(23)24(26)27/h10-14,16-17H,2-9,15,18H2,1H3,(H,26,27) | | Synonyms: | BPH-1186 | | Definition date: | 2011-06-17 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-07 | | Identifier: | 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid |
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 | | 06C | | Name: | Iodomethane | | Formula: | C H3 I | | SMILES: | IC | | InChi: | InChI=1S/CH3I/c1-2/h1H3 | | Synonyms: | Methyl iodine | | Definition date: | 2011-03-03 | | Last modified: | 2021-03-01 | | Identifier: | iodomethane |
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 | | JZ5 | | Name: | (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine | | Formula: | C5 H5 N O S | | SMILES: | ON=Cc1sccc1 | | InChi: | InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4- | | Synonyms: | (Z)-thiophene-2-carboxaldoxime | | Definition date: | 2009-06-16 | | Last modified: | 2021-03-01 | | Identifier: | (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine |
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 | | JZP | | Name: | (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | Formula: | C33 H35 Cl2 N3 O6 S | | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(Cl)cccc3Cl)Cc4ccccc4)CSC5(C)C | | InChi: | InChI=1S/C33H35Cl2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1 | | Synonyms: | KNI-10074 | | Definition date: | 2009-10-23 | | Last modified: | 2021-03-01 | | Identifier: | (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | 07L | | Name: | 7-hydroxy-2H-chromen-2-one | | Formula: | C9 H6 O3 | | SMILES: | O=C2Oc1cc(O)ccc1C=C2 | | InChi: | InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H | | Synonyms: | 7-hydroxycoumarin | | Definition date: | 2011-09-29 | | Last modified: | 2021-03-01 | | Identifier: | 7-hydroxy-2H-chromen-2-one |
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 | | K0X | | Name: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide | | Formula: | C24 H34 F N7 O2 | | SMILES: | C1CCCNC(=O)C(N)CCCCNc2c(cnc(NCC1)n2)C(=O)NCc3ccc(cc3)F | | InChi: | InChI=1S/C24H34FN7O2/c25-18-10-8-17(9-11-18)15-30-22(33)19-16-31-24-29-14-5-2-1-4-13-28-23(34)20(26)7-3-6-12-27-21(19)32-24/h8-11,16,20H,1-7,12-15,26H2,(H,28,34)(H,30,33)(H2,27,29,31,32)/t20-/m0/s1 | | Synonyms: | UNC2541 | | Definition date: | 2016-05-20 | | Last modified: | 2021-03-01 | | Release date: | 2017-02-22 | | Identifier: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide |
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 | | 08P | | Name: | N-(carboxycarbonyl)-D-cysteine | | Formula: | C5 H7 N O5 S | | SMILES: | O=C(C(=O)O)NC(C(=O)O)CS | | InChi: | InChI=1S/C5H7NO5S/c7-3(5(10)11)6-2(1-12)4(8)9/h2,12H,1H2,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1 | | Synonyms: | N-oxalyl-D-cysteine | | Definition date: | 2011-10-17 | | Last modified: | 2021-03-01 | | Identifier: | N-(carboxycarbonyl)-D-cysteine |
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 | | 08Y | | Name: | bromoergocryptine | | Formula: | C32 H40 Br N5 O5 | | SMILES: | Brc7nc6cccc5C4=CC(C(=O)NC1(OC3(O)N(C1=O)C(C(=O)N2CCCC23)CC(C)C)C(C)C)CN(C)C4Cc7c56 | | InChi: | InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1 | | Synonyms: | bromocriptine | | Definition date: | 2011-10-31 | | Last modified: | 2021-03-01 | | Identifier: | (5alpha,5'beta)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman |
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 | | 097 | | Name: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide | | Formula: | C15 H29 N3 O5 | | SMILES: | CNC(=O)[CH](NC(=O)[CH](CC(C)C)[CH](O)C(=O)NO)C(C)(C)C | | InChi: | InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | | Synonyms: | MARIMASTAT | | Definition date: | 2003-10-16 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-butan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide |
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 | | 09L | | Name: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one | | Formula: | C24 H23 F N4 O3 | | SMILES: | O=C(N4CCN(C(=O)c1c(F)ccc(c1)CC3=NNC(=O)c2c3cccc2)CC4)C5CC5 | | InChi: | InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | | Synonyms: | Olaparib | | Definition date: | 2011-11-03 | | Last modified: | 2021-03-01 | | Identifier: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one |
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 | | 09N | | Name: | (11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide | | Formula: | C44 H83 N O9 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCC=C/CC=C/CCCCC | | InChi: | InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11-,18-17-/t36-,37+,38+,40-,41-,42-,43+,44-/m0/s1 | | Synonyms: | C20:2-alpha-galactosylceramide | | Definition date: | 2011-11-04 | | Last modified: | 2021-03-01 | | Identifier: | (11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide |
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 | | FM0 | | Name: | (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid | | Formula: | C6 H13 F O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCCC(O)(CC(=O)O)CF)O | | InChi: | InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1 | | Synonyms: | 6-fluoromevalonate 5-diphosphate | | Definition date: | 2011-02-24 | | Last modified: | 2021-03-01 | | Identifier: | (3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid |
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 | | FN1 | | Name: | 5-fluoronicotine | | Formula: | C10 H13 F N2 | | SMILES: | Fc1cncc(c1)C2CCCN2C | | InChi: | InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1 | | Synonyms: | 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine | | Definition date: | 2015-05-28 | | Last modified: | 2021-03-01 | | Release date: | 2015-06-24 | | Identifier: | 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
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 | | FOP | | Name: | 2-HYDROXY-PROPYL-AMMONIUM | | Formula: | C3 H10 N O | | SMILES: | OC(C)C[NH3+] | | InChi: | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1 | | Synonyms: | F-LOOP OF VITAMIN B12 | | Definition date: | 2001-04-11 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-hydroxypropan-1-aminium |
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 | | FP0 | | Name: | (3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate | | Formula: | C17 H24 O5 | | SMILES: | O=C(OC3CC2(C4(C(OC3C21OC1)C=C(C)CC4)CO)C)C | | InChi: | InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1 | | Synonyms: | 15-decalonectrin | | Definition date: | 2009-01-05 | | Last modified: | 2021-03-01 | | Identifier: | (3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate |
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 | | 0CZ | | Name: | 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol | | Formula: | C15 H10 F6 O2 | | SMILES: | FC(F)(F)C(c1ccc(O)cc1)(c2ccc(O)cc2)C(F)(F)F | | InChi: | InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H | | Synonyms: | BISPHENOL AF | | Definition date: | 2011-12-13 | | Last modified: | 2021-03-01 | | Identifier: | 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol |
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 | | 0DB | | Name: | N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan | | Formula: | C28 H32 N2 O5 | | SMILES: | O=C(O)C(CCc1ccccc1)CC4(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CCCC4 | | InChi: | InChI=1S/C28H32N2O5/c31-25(32)20(13-12-19-8-2-1-3-9-19)17-28(14-6-7-15-28)27(35)30-24(26(33)34)16-21-18-29-23-11-5-4-10-22(21)23/h1-5,8-11,18,20,24,29H,6-7,12-17H2,(H,30,35)(H,31,32)(H,33,34)/t20-,24+/m1/s1 | | Synonyms: | CCT | | Definition date: | 2008-11-12 | | Last modified: | 2021-03-01 | | Identifier: | N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan |
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 | | 0DS | | Name: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide | | Formula: | C23 H36 N4 O5 | | SMILES: | O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(C)C)CC(C)C | | InChi: | InChI=1S/C23H36N4O5/c1-14(2)10-17(13-20(28)27-32)22(30)26-19(11-15(3)4)23(31)25-18(21(24)29)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,32H,10-13H2,1-4H3,(H2,24,29)(H,25,31)(H,26,30)(H,27,28)/t17-,18+,19+/m1/s1 | | Synonyms: | ICI U24522 | | Definition date: | 2008-11-10 | | Last modified: | 2021-03-01 | | Identifier: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide |
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 | | FPM | | Name: | (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | | Formula: | C12 H15 N O5 S | | SMILES: | O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O | | InChi: | InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | | Synonyms: | Faropenem | | Definition date: | 2007-11-27 | | Last modified: | 2021-03-01 | | Identifier: | (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
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 | | FPS | | Name: | S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | | Formula: | C15 H28 O6 P2 S | | SMILES: | O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(C)CCC=C(/C)C)C | | InChi: | InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+ | | Synonyms: | FARNESYL THIOPYROPHOSPHATE | | Definition date: | 2005-03-16 | | Last modified: | 2021-03-01 | | Identifier: | S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate |
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