 | | 6TL | | Name: | 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide | | Formula: | C33 H40 N6 O | | SMILES: | O=C(NCCCN1CCCC1)c2cncc(c2)c3ccccc3N4CCN(CC4)CCc5c[nH]c6ccccc56 | | InChi: | InChI=1S/C33H40N6O/c40-33(35-13-7-16-37-14-5-6-15-37)28-22-27(23-34-24-28)30-9-2-4-11-32(30)39-20-18-38(19-21-39)17-12-26-25-36-31-10-3-1-8-29(26)31/h1-4,8-11,22-25,36H,5-7,12-21H2,(H,35,40) | | Synonyms: | AZ506 | | Definition date: | 2016-06-21 | | Last modified: | 2021-03-01 | | Release date: | 2016-12-07 | | Identifier: | 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide |
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 | | 6TM | | Name: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide | | Formula: | C32 H37 Cl2 N7 O | | SMILES: | Clc1ccc(CCN2CCN(CC2)c3ccccc3c4cc(C(=O)NCCCN5CCCC5)c6c[nH]nc6n4)cc1Cl | | InChi: | InChI=1S/C32H37Cl2N7O/c33-27-9-8-23(20-28(27)34)10-15-40-16-18-41(19-17-40)30-7-2-1-6-24(30)29-21-25(26-22-36-38-31(26)37-29)32(42)35-11-5-14-39-12-3-4-13-39/h1-2,6-9,20-22H,3-5,10-19H2,(H,35,42)(H,36,37,38) | | Synonyms: | AZ931 | | Definition date: | 2016-06-21 | | Last modified: | 2021-03-01 | | Release date: | 2016-12-07 | | Identifier: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide |
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 | | P24 | | Name: | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE | | Formula: | C6 H17 N3 | | SMILES: | NCCCCNCCN | | InChi: | InChI=1S/C6H17N3/c7-3-1-2-5-9-6-4-8/h9H,1-8H2 | | Synonyms: | PA(24) | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-(2-aminoethyl)butane-1,4-diamine |
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 | | 6U4 | | Name: | [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H16 N5 O13 P3 | | SMILES: | NC1=C2N=CN([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)C2=NC(=O)N1 | | InChi: | InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Synonyms: | 2-oxo-dATP | | Definition date: | 2016-06-24 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-04 | | Identifier: | [[(2~{R},3~{S},5~{R})-5-(6-azanyl-2-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | P2E | | Name: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid | | Formula: | C20 H32 O5 | | SMILES: | O=C1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O | | InChi: | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 | | Synonyms: | Prostaglandin E2 | | Definition date: | 2009-06-04 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-23 | | Identifier: | (5Z,11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid |
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 | | P2S | | Name: | (2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID | | Formula: | C9 H19 N2 O8 P S | | SMILES: | O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C(=O)O)N)(O)O | | InChi: | InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7+,21-/m1/s1 | | Synonyms: | N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID | | Definition date: | 2004-02-13 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-amino-4-{S-[(2S)-2-carboxybutyl]-N-phosphonosulfonimidoyl}butanoic acid |
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 | | P3P | | Name: | (2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID | | Formula: | C5 H13 N O7 P2 | | SMILES: | O=P(OP(=O)(O)O)(CCC(C(=O)O)N)C | | InChi: | InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1 | | Synonyms: | PHOSPHINOTHRICIN PHOSPHATE | | Definition date: | 2005-09-27 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-amino-4-[(R)-methyl(phosphonooxy)phosphoryl]butanoic acid |
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 | | P40 | | Name: | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | | Formula: | C25 H29 N5 O2 | | SMILES: | O=C(NC1CC1)c2cc(c(cc2)C)c4ccc3nc(ncc3c4)NCCN5CCOCC5 | | InChi: | InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29) | | Synonyms: | N-cyclopropyl-4-methyl-3-(2-((2-(4-morpholinyl)ethyl)amino)-6-quinazolinyl)benzamide | | Definition date: | 2008-07-16 | | Last modified: | 2021-03-01 | | Identifier: | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide |
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 | | P4C | | Name: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL | | Formula: | C14 H28 O8 | | SMILES: | O=CCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C14H28O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h1,16H,2-14H2 | | Synonyms: | POLYETHYLENE 400 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 20-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-al |
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 | | P5B | | Name: | N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE | | Formula: | C26 H33 N7 O5 S | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2ccccc2nc3)CCC(=O)N | | InChi: | InChI=1S/C26H33N7O5S/c1-2-39(37,38)33-22(13-18-15-30-20-6-4-3-5-19(18)20)26(36)32-21(11-12-23(27)34)25(35)31-14-16-7-9-17(10-8-16)24(28)29/h3-10,15,21-22,30,33H,2,11-14H2,1H3,(H2,27,34)(H3,28,29)(H,31,35)(H,32,36)/t21-,22+/m0/s1 | | Synonyms: | 2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE) | | Definition date: | 2004-12-15 | | Last modified: | 2021-03-01 | | Identifier: | N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide |
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 | | P5D | | Name: | (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid | | Formula: | C13 H18 N O6 P | | SMILES: | O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C13H18NO6P/c14-11(6-9-4-2-1-3-5-9)21(19,20)8-10(13(17)18)7-12(15)16/h1-5,10-11H,6-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1 | | Synonyms: | L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE | | Definition date: | 2011-05-18 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid |
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 | | P5S | | Name: | O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | Formula: | C42 H82 N O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1 | | Synonyms: | phosphatidyl serine | | Definition date: | 2012-07-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-26 | | Identifier: | O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine |
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 | | P6G | | Name: | HEXAETHYLENE GLYCOL | | Formula: | C12 H26 O7 | | SMILES: | O(CCO)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 | | Synonyms: | POLYETHYLENE GLYCOL PEG400 | | Definition date: | 2000-11-29 | | Last modified: | 2021-03-01 | | Identifier: | 3,6,9,12,15-pentaoxaheptadecane-1,17-diol |
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 | | P7M | | Name: | N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide | | Formula: | C11 H6 Br Cl2 N O3 S2 | | SMILES: | c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O | | InChi: | InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16) | | Synonyms: | Tasisulam | | Definition date: | 2019-08-05 | | Last modified: | 2021-03-01 | | Release date: | 2019-11-13 | | Identifier: | N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide |
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 | | P7Y | | Name: | 2-[(E)-2-nitroethenyl]phenol | | Formula: | C8 H7 N O3 | | SMILES: | [O-][N+](=O)/C=C/c1ccccc1O | | InChi: | InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+ | | Synonyms: | (E)-1-(2'-hydroxyphenyl)-2-nitroethene | | Definition date: | 2010-10-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-[(E)-2-nitroethenyl]phenol |
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 | | P8P | | Name: | (2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate | | Formula: | C19 H38 O11 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)O | | InChi: | InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1 | | Synonyms: | dioctanoylglycerol pyrophosphate | | Definition date: | 2011-07-06 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate |
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 | | P8Q | | Name: | (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide | | Formula: | C33 H36 Cl N7 O4 S | | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C | | InChi: | InChI=1S/C33H36ClN7O4S/c1-19-20(2)46-33-30(19)31(22-10-12-23(34)13-11-22)37-26(32-39-38-21(3)41(32)33)18-29(44)36-25-16-14-24(15-17-25)35-27(42)8-6-4-5-7-9-28(43)40-45/h10-17,26,45H,4-9,18H2,1-3H3,(H,35,42)(H,36,44)(H,40,43)/t26-/m0/s1 | | Synonyms: | TW12 | | Definition date: | 2020-04-17 | | Last modified: | 2021-03-01 | | Release date: | 2020-05-06 | | Identifier: | ~{N}-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]phenyl]-~{N}'-oxidanyl-octanediamide |
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 | | P8S | | Name: | heptadecafluoro-1-octanesulfonic acid | | Formula: | C8 H F17 O3 S | | SMILES: | FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | | InChi: | InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28) | | Synonyms: | perfluorooctane sulfonate | | Definition date: | 2012-03-27 | | Last modified: | 2021-03-01 | | Identifier: | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid |
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 | | P9H | | Name: | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid | | Formula: | C19 H25 N3 O7 S | | SMILES: | N[CH](CCC(=O)N[CH](CS[CH](CC=O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O | | InChi: | InChI=1S/C19H25N3O7S/c20-13(19(28)29)6-7-16(24)22-14(18(27)21-10-17(25)26)11-30-15(8-9-23)12-4-2-1-3-5-12/h1-5,9,13-15H,6-8,10-11,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/t13-,14-,15+/m0/s1 | | Synonyms: | Glutathionyl-cinnamaldehyde | | Definition date: | 2020-04-19 | | Last modified: | 2021-03-01 | | Release date: | 2020-08-26 | | Identifier: | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
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 | | PA0 | | Name: | Phenylarsine oxide | | Formula: | C6 H5 As O | | SMILES: | O=[As]c1ccccc1 | | InChi: | InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H | | Synonyms: | oxo(phenyl)arsane | | Definition date: | 2008-08-13 | | Last modified: | 2021-03-01 | | Identifier: | oxo(phenyl)arsane |
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 | | PA6 | | Name: | (R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE | | Formula: | C9 H17 O8 P | | SMILES: | O=P(O)(OCC(OC=O)COC(=O)CCCC)O | | InChi: | InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1 | | Synonyms: | PHOSPHATIDIC ACID | | Definition date: | 2006-11-07 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate |
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 | | PC1 | | Name: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C44 H88 N O8 P | | SMILES: | O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1 | | Synonyms: | 3-SN-PHOSPHATIDYLCHOLINE | | Definition date: | 2003-07-09 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate |
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 | | PCO | | Name: | 2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE | | Formula: | C11 H20 N2 O4 S | | SMILES: | O=C(NC=C/S)CCNC(=O)C(O)C(C)(C)CO | | InChi: | InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5-/t9-/m0/s1 | | Synonyms: | PANTOTHENOYLAMINOETHENETHIOL | | Definition date: | 2002-10-01 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(Z)-2-sulfanylethenyl]amino}propyl)butanamide |
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 | | PCV | | Name: | 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID | | Formula: | C8 H14 N2 O4 | | SMILES: | O=C1N(C(C(=O)O)C(O)CCN)CC1 | | InChi: | InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1 | | Synonyms: | PROCLAVAMINIC ACID | | Definition date: | 2000-01-21 | | Last modified: | 2021-03-01 | | Identifier: | 5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid |
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 | | PDA | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID | | Formula: | C11 H17 N2 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1 | | Synonyms: | PYRIDOXYL-ALANINE-5-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine |
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