 | | PI4 | | Name: | 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE | | Formula: | C28 H43 N5 O6 | | SMILES: | O=C(NC(C)(C)C)C1N(CCCC1)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N | | InChi: | InChI=1S/C28H43N5O6/c1-28(2,3)32-27(38)22-7-4-5-13-33(22)17-23(34)20-15-18-9-11-19(12-10-18)39-14-6-8-25(36)30-21(16-24(29)35)26(37)31-20/h9-12,20-23,34H,4-8,13-17H2,1-3H3,(H2,29,35)(H,30,36)(H,31,37)(H,32,38)/t20-,21-,22-,23+/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-1-{(2R)-2-[(8S,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl}-N-tert-butylpiperidine-2-carboxamide |
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 | | PI5 | | Name: | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE | | Formula: | C37 H53 N5 O7 | | SMILES: | O=C1N(CCC1)C(C(=O)NC(Cc2ccc(O)cc2)C(O)CNC4C(=O)NC(C(=O)NCCCOc3ccc(cc3)C4)C(C)CC)C(C)C | | InChi: | InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24-,29-,30-,31+,33-,34-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide |
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 | | PI6 | | Name: | [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER | | Formula: | C33 H48 N4 O6 | | SMILES: | O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC | | InChi: | InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22-,26-,27-,28+,29-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | tert-butyl [(2S,3R)-4-{[(8S,11S)-8-[(2S)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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 | | PI8 | | Name: | N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE | | Formula: | C41 H54 N4 O6 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CNC5C(=O)NC(C(=O)NCCCCCOc4ccc(cc4)C5)C(C)CC | | InChi: | InChI=1S/C41H54N4O6/c1-3-27(2)37-41(50)42-20-10-5-11-21-51-33-18-16-29(17-19-33)23-35(40(49)44-37)43-26-32(46)24-31(22-28-12-6-4-7-13-28)39(48)45-38-34-15-9-8-14-30(34)25-36(38)47/h4,6-9,12-19,27,31-32,35-38,43,46-47H,3,5,10-11,20-26H2,1-2H3,(H,42,50)(H,44,49)(H,45,48)/t27-,31+,32-,35-,36+,37-,38-/m0/s1 | | Synonyms: | MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8 | | Definition date: | 1999-10-07 | | Last modified: | 2021-03-01 | | Identifier: | (2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(10S,13S)-10-[(1S)-1-methylpropyl]-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]amino}pentanamide (non-preferred name) |
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 | | PIL | | Name: | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE | | Formula: | C18 H18 Cl2 N2 O3 | | SMILES: | Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3 | | InChi: | InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) | | Synonyms: | PICLAMILAST | | Definition date: | 2004-11-17 | | Last modified: | 2021-03-01 | | Identifier: | 3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide |
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 | | PJ2 | | Name: | (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid | | Formula: | C20 H30 O4 | | SMILES: | O=C(O)CCC/C=CCC1C=CC(=O)C1=C/CC(O)CCCCC | | InChi: | InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14-/t16-,17-/m0/s1 | | Synonyms: | delta12-prostaglandine J2 | | Definition date: | 2009-09-29 | | Last modified: | 2021-03-01 | | Identifier: | (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid |
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 | | BD2 | | Name: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | | Formula: | C27 H26 N2 O6 | | SMILES: | O=C(c1ccccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3 | | InChi: | InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1 | | Synonyms: | BALANOL ANALOG 2 | | Definition date: | 2003-12-01 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-[(2-hydroxyphenyl)carbonyl]benzoate |
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 | | BDA | | Name: | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | | Formula: | C62 H66 N2 O20 | | SMILES: | O=C2c1c(O)c%11c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)C(O)C(C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(O)C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)C%10)C | | InChi: | InChI=1S/C62H64N2O20/c1-25-51(67)35(17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-36-18-42(82-26(2)52(36)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/p+2/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1 | | Synonyms: | WP631 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(benzene-1,4-diyldimethanediyl)bis(6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyltetrahydro-2H-pyran-4-aminium) (non-preferred name) |
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 | | BDC | | Name: | BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE | | Formula: | C44 H54 N8 O2 | | SMILES: | O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6 | | InChi: | InChI=1S/C44H54N8O2/c1-51(2)29-27-47-43(53)35-21-15-19-33-39(31-17-9-11-23-37(31)49-41(33)35)45-25-13-7-5-6-8-14-26-46-40-32-18-10-12-24-38(32)50-42-34(40)20-16-22-36(42)44(54)48-28-30-52(3)4/h9-12,15-24H,5-8,13-14,25-30H2,1-4H3,(H,45,49)(H,46,50)(H,47,53)(H,48,54) | | Synonyms: | BIS-DACA | | Definition date: | 2001-10-12 | | Last modified: | 2021-03-01 | | Identifier: | 9,9'-(octane-1,8-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide} |
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 | | BE6 | | Name: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE | | Formula: | C38 H36 F4 N2 O8 | | SMILES: | Fc1cc(c(F)cc1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cc(F)ccc4F)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H36F4N2O8/c39-23-9-11-27(41)21(13-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)15-29(31)45)33(47)34(48)36(52-18-22-14-24(40)10-12-28(22)42)38(50)44-32-26-8-4-2-6-20(26)16-30(32)46/h1-14,29-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | Synonyms: | HIV-1 INHIBITOR | | Definition date: | 2004-08-10 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R,4R,5R)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | BEE | | Name: | N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | | Formula: | C40 H50 N4 O8 S2 | | SMILES: | O=C(NC)C(NC(=O)C(OCc2ccc(c1ccsc1)cc2)C(O)C(O)C(OCc4ccc(c3ccsc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C | | InChi: | InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1 | | Synonyms: | INHIBITOR BEA409 | | Definition date: | 2000-01-31 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-thiophen-3-ylbenzyl)oxy]hexanediamide (non-preferred name) |
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 | | BEG | | Name: | 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE] | | Formula: | C38 H40 N2 O7 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)CC(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31-,32-,33-,34+,35+,36-/m1/s1 | | Synonyms: | INHIBITOR BEA425 | | Definition date: | 1999-10-05 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R,5R)-2,5-bis(benzyloxy)-3-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
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 | | BEI | | Name: | N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE] | | Formula: | C34 H50 N4 O8 | | SMILES: | O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2ccccc2)C(=O)NC(C(=O)NC)C(C)CC)C(C)CC | | InChi: | InChI=1S/C34H50N4O8/c1-7-21(3)25(31(41)35-5)37-33(43)29(45-19-23-15-11-9-12-16-23)27(39)28(40)30(46-20-24-17-13-10-14-18-24)34(44)38-26(22(4)8-2)32(42)36-6/h9-18,21-22,25-30,39-40H,7-8,19-20H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t21-,22-,25-,26-,27+,28+,29+,30+/m0/s1 | | Synonyms: | INHIBITOR BEA322 | | Definition date: | 2000-01-31 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2S)-2-methyl-1-(methylcarbamoyl)butyl]hexanediamide (non-preferred name) |
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 | | PL7 | | Name: | (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID | | Formula: | C16 H18 N2 O9 | | SMILES: | O=C(O)CCC(=NOCC(C(=O)O)NC(=O)COc1ccccc1)/C(=O)O | | InChi: | InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1 | | Synonyms: | PHENYLACETYL LACTIVICIN | | Definition date: | 2006-12-23 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-2-({(2S)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid |
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 | | BEU | | Name: | N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE | | Formula: | C9 H16 N2 O4 | | SMILES: | O=C(NC1C(C=C(C(O)C1O)CO)N)C | | InChi: | InChI=1S/C9H16N2O4/c1-4(13)11-7-6(10)2-5(3-12)8(14)9(7)15/h2,6-9,12,14-15H,3,10H2,1H3,(H,11,13)/t6-,7+,8-,9-/m1/s1 | | Synonyms: | 2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE | | Definition date: | 2007-07-03 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1S,2R,5R,6R)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide |
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 | | PL9 | | Name: | 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE | | Formula: | C53 H80 O2 | | SMILES: | O=C1C(=CC(=O)C(=C1C)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C | | InChi: | InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3 | | Synonyms: | PLASTOQUINONE 9 | | Definition date: | 2001-06-25 | | Last modified: | 2021-03-01 | | Identifier: | 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione |
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 | | PLB | | Name: | 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | | Formula: | C18 H11 Cl2 N3 O4 | | SMILES: | Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)cc(Oc2ncccn2)cc3 | | InChi: | InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26) | | Synonyms: | 5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID | | Definition date: | 2004-08-24 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2,4-dichlorophenyl)carbonyl]amino}-5-(pyrimidin-2-yloxy)benzoic acid |
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 | | PLG | | Name: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | | Formula: | C10 H15 N2 O7 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C | | InChi: | InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18) | | Synonyms: | N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE | | Definition date: | 1999-12-01 | | Last modified: | 2021-03-01 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)glycine |
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 | | PLO | | Name: | (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE | | Formula: | C21 H32 O2 | | SMILES: | O=C(C)C2C1(CCC3C(C1CC2)CC=C4C3(CCC(O)C4)C)C | | InChi: | InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1 | | Synonyms: | PREGNENOLONE | | Definition date: | 2003-07-31 | | Last modified: | 2021-03-01 | | Identifier: | (3alpha,8alpha)-3-hydroxypregn-5-en-20-one |
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 | | PLP | | Name: | PYRIDOXAL-5'-PHOSPHATE | | Formula: | C8 H10 N O6 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1C=O)C | | InChi: | InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) | | Synonyms: | VITAMIN B6 Phosphate | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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 | | PLR | | Name: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C8 H12 N O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1C)C | | InChi: | InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13) | | Synonyms: | 4'-DEOXYPYRIDOXINE PHOSPHATE | | Definition date: | 2003-07-03 | | Last modified: | 2021-03-01 | | Identifier: | (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate |
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 | | PLV | | Name: | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-O-METHYL-L-SERINE | | Formula: | C12 H19 N2 O8 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)COC | | InChi: | InChI=1S/C12H19N2O8P/c1-7-11(15)9(4-14-10(6-21-2)12(16)17)8(3-13-7)5-22-23(18,19)20/h3,10,14-15H,4-6H2,1-2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1 | | Synonyms: | PYRIDOXYL-(O-METHYL-SERINE)-5-MONOPHOSPHATE | | Definition date: | 2003-07-15 | | Last modified: | 2021-03-01 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-O-methyl-L-serine |
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 | | BFQ | | Name: | IBANDRONATE | | Formula: | C9 H23 N O7 P2 | | SMILES: | O=P(O)(O)C(O)(CCN(CCCCC)C)P(=O)(O)O | | InChi: | InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17) | | Synonyms: | [1-HYDROXY-3-(METHYL-PENTYL-AMINO)-1-PHOSPHONO-PROPYL]-PHOSPHONIC ACID | | Definition date: | 2006-01-11 | | Last modified: | 2021-03-01 | | Identifier: | {1-hydroxy-3-[methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid) |
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 | | PM7 | | Name: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one | | Formula: | C21 H25 N3 O | | SMILES: | N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cccc4)n5)(C)C)C6 | | InChi: | InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20+,21-/m0/s1 | | Synonyms: | premalbrancheamide E | | Definition date: | 2017-07-17 | | Last modified: | 2021-03-01 | | Release date: | 2017-08-16 | | Identifier: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
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 | | BFU | | Name: | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA | | Formula: | C18 H17 Br F N3 O3 | | SMILES: | O=C(Nc1ncc(Br)cc1)NC3CC3c2c(F)ccc(C(=O)CC)c2O | | InChi: | InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1 | | Synonyms: | MSC204 | | Definition date: | 2000-02-10 | | Last modified: | 2021-03-01 | | Identifier: | 1-(5-bromopyridin-2-yl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea |
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