 | | P14 | | Name: | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE | | Formula: | C16 H31 N7 O2 | | SMILES: | O(c1ccc(OC)cc1CNCCCCNC(=[NH2+])N)CCNC(=[NH2+])N | | InChi: | InChI=1S/C16H29N7O2/c1-24-13-4-5-14(25-9-8-23-16(19)20)12(10-13)11-21-6-2-3-7-22-15(17)18/h4-5,10,21H,2-3,6-9,11H2,1H3,(H4,17,18,22)(H4,19,20,23)/p+2 | | Synonyms: | RBT203 INHIBITOR | | Definition date: | 2003-12-18 | | Last modified: | 2020-06-17 | | Identifier: | amino{[2-(2-{[(4-{[amino(iminio)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]amino}methaniminium |
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 | | 6SY | | Name: | Uridine-3',5'-cyclic monophosphate | | Formula: | C9 H11 N2 O8 P | | SMILES: | O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1N3C=CC(=O)NC3=O | | InChi: | InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | cUMP | | Definition date: | 2016-06-16 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | 1-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione |
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 | | 6T1 | | Name: | 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide | | Formula: | C30 H34 Cl2 N4 O2 | | SMILES: | Clc1ccc(CCN2CC(C2)Oc3ccccc3c4cc(ccn4)C(=O)NCCCN5CCCC5)cc1Cl | | InChi: | InChI=1S/C30H34Cl2N4O2/c31-26-9-8-22(18-27(26)32)11-17-36-20-24(21-36)38-29-7-2-1-6-25(29)28-19-23(10-13-33-28)30(37)34-12-5-16-35-14-3-4-15-35/h1-2,6-10,13,18-19,24H,3-5,11-12,14-17,20-21H2,(H,34,37) | | Synonyms: | AZ13450370 | | Definition date: | 2016-06-21 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-07 | | Identifier: | 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide |
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 | | 6T2 | | Name: | 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine | | Formula: | C26 H29 N5 O2 | | SMILES: | CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4 | | InChi: | InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | | Synonyms: | Crenolanib | | Definition date: | 2016-06-17 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-29 | | Identifier: | 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine |
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 | | P1B | | Name: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione | | Formula: | C19 H20 N2 O3 S | | SMILES: | O=C1NC(=O)SC1Cc3ccc(OCCc2ncc(cc2)CC)cc3 | | InChi: | InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m1/s1 | | Synonyms: | PIOGLITAZONE | | Definition date: | 2010-07-14 | | Last modified: | 2020-06-17 | | Identifier: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione |
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 | | P1D | | Name: | ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO
L-2-YL)METHYLPHOSPHONIC ACID | | Formula: | C13 H16 N3 O8 P | | SMILES: | O=C1NC=Nc2c1ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO | | InChi: | InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1 | | Synonyms: | 9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE | | Definition date: | 2005-08-04 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-2,3-O-[(1S)-2-phosphonoethylidene]-D-ribitol |
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 | | P1H | | Name: | {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M
ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Formula: | C30 H38 N8 O15 P2 | | SMILES: | CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O | | InChi: | InChI=1S/C30H38N8O15P2/c1-2-3-15-8-14(4-6-33-15)21(39)16-5-7-37(9-17(16)27(32)44)29-24(42)22(40)18(51-29)10-49-54(45,46)53-55(47,48)50-11-19-23(41)25(43)30(52-19)38-13-36-20-26(31)34-12-35-28(20)38/h4-9,12-13,16,18-19,22-25,29-30,40-43H,2-3,10-11H2,1H3,(H2,32,44)(H,45,46)(H,47,48)(H2,31,34,35)/t16-,18+,19+,22+,23+,24+,25+,29+,30+/m0/s1 | | Synonyms: | 2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE | | Definition date: | 2006-11-10 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-propylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
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 | | P2G | | Name: | (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI
C ACID | | Formula: | C11 H14 N5 O8 P | | SMILES: | O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N | | InChi: | InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1 | | Synonyms: | GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE | | Definition date: | 2005-08-04 | | Last modified: | 2020-06-17 | | Identifier: | 2',3'-O-(phosphonomethylidene)guanosine |
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 | | 6UB | | Name: | amlodipine | | Formula: | C20 H25 Cl N2 O5 | | SMILES: | CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C | | InChi: | InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1 | | Synonyms: | ~{O}3-ethyl ~{O}5-methyl
(4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | | Definition date: | 2016-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | ~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
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 | | P2O | | Name: | 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE | | Formula: | C6 H7 N O2 | | SMILES: | O=C1OCCN1CC#C | | InChi: | InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2 | | Synonyms: | 1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE | | Definition date: | 2006-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 3-prop-2-yn-1-yl-1,3-oxazolidin-2-one |
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 | | P2P | | Name: | N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE | | Formula: | C10 H13 N4 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O | | InChi: | InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1 | | Synonyms: | PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | | Definition date: | 2001-07-10 | | Last modified: | 2020-06-17 | | Identifier: | 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol |
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 | | P2Z | | Name: | Promazine | | Formula: | C17 H20 N2 S | | SMILES: | S2c1ccccc1N(c3c2cccc3)CCCN(C)C | | InChi: | InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 | | Synonyms: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine | | Definition date: | 2013-08-23 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-22 | | Identifier: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine |
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 | | P3D | | Name: | (4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C13 H22 N3 O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C | | InChi: | InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+ | | Synonyms: | PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER | | Definition date: | 2007-05-16 | | Last modified: | 2020-06-17 | | Identifier: | (4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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 | | P42 | | Name: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | | Formula: | C42 H88 N O8 P | | SMILES: | [O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1 | | Synonyms: | 1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine | | Definition date: | 2008-11-25 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate |
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 | | P4A | | Name: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol | | Formula: | C17 H16 N2 O3 | | SMILES: | Oc3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3 | | InChi: | InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19) | | Synonyms: | 3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole | | Definition date: | 2007-12-05 | | Last modified: | 2020-06-17 | | Identifier: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol |
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 | | P4D | | Name: | (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid | | Formula: | C13 H18 N O7 P | | SMILES: | O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C13H18NO7P/c14-11(5-8-1-3-10(15)4-2-8)22(20,21)7-9(13(18)19)6-12(16)17/h1-4,9,11,15H,5-7,14H2,(H,16,17)(H,18,19)(H,20,21)/t9-,11+/m0/s1 | | Synonyms: | L-TYR-D-ASP PHOSPHINATE PSEUDODIPEPTIDE | | Definition date: | 2011-05-18 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid |
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 | | P4T | | Name: | 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE | | Formula: | C12 H12 N2 O S | | SMILES: | O=C(c1sc(nc1C)Nc2ccccc2)C | | InChi: | InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14) | | Synonyms: | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone | | Definition date: | 2007-09-06 | | Last modified: | 2020-06-17 | | Identifier: | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone |
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 | | P5M | | Name: | 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium | | Formula: | C16 H13 O7 | | SMILES: | Oc1cc(cc(OC)c1O)c3[o+]c2cc(O)cc(O)c2cc3O | | InChi: | InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1 | | Synonyms: | Petunidin | | Definition date: | 2014-10-15 | | Last modified: | 2020-06-17 | | Release date: | 2015-01-21 | | Identifier: | 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium |
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 | | P6W | | Name: | pentanediamide | | Formula: | C5 H10 N2 O2 | | SMILES: | NC(=O)CCCC(N)=O | | InChi: | InChI=1S/C5H10N2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,(H2,6,8)(H2,7,9) | | Synonyms: | Glutaramide | | Definition date: | 2020-04-16 | | Last modified: | 2020-06-17 | | Release date: | 2020-06-03 | | Identifier: | pentanediamide |
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 | | P7D | | Name: | Resminostat | | Formula: | C16 H19 N3 O4 S | | SMILES: | c1cc(ccc1CN(C)C)S(n2ccc(C=CC(=O)NO)c2)(=O)=O | | InChi: | InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+ | | Synonyms: | (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide | | Definition date: | 2019-08-02 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-04 | | Identifier: | (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide |
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 | | P80 | | Name: | 3-[(E)-2-nitroethenyl]phenol | | Formula: | C8 H7 N O3 | | SMILES: | [O-][N+](=O)/C=C/c1cc(O)ccc1 | | InChi: | InChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+ | | Synonyms: | (E)-1-(3'-hydroxyphenyl)-2-nitroethene | | Definition date: | 2010-10-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-[(E)-2-nitroethenyl]phenol |
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 | | P81 | | Name: | 4-[(E)-2-nitroethenyl]phenol | | Formula: | C8 H7 N O3 | | SMILES: | [O-][N+](=O)/C=C/c1ccc(O)cc1 | | InChi: | InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+ | | Synonyms: | (E)-1-(4'-hydroxyphenyl)-2-nitroethene | | Definition date: | 2010-10-14 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(E)-2-nitroethenyl]phenol |
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 | | P8D | | Name: | phosphinate pseudodipeptide L-Ala-D-Asp | | Formula: | C7 H14 N O6 P | | SMILES: | O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O | | InChi: | InChI=1S/C7H14NO6P/c1-4(8)15(13,14)3-5(7(11)12)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5+/m1/s1 | | Synonyms: | (2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid | | Definition date: | 2009-10-23 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid |
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 | | P8N | | Name: | (~{E})-3-[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]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide | | Formula: | C29 H27 Cl N6 O3 S | | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C | | InChi: | InChI=1S/C29H27ClN6O3S/c1-16-17(2)40-29-26(16)27(21-9-11-22(30)12-10-21)32-23(28-34-33-18(3)36(28)29)14-25(38)31-15-20-6-4-19(5-7-20)8-13-24(37)35-39/h4-13,23,39H,14-15H2,1-3H3,(H,31,38)(H,35,37)/b13-8+/t23-/m0/s1 | | Synonyms: | TW22 | | Definition date: | 2020-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-27 | | Identifier: | (~{E})-3-[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]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide |
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 | | P8T | | Name: | ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t
rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | | Formula: | C32 H28 Cl N7 O2 S | | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C | | InChi: | InChI=1S/C32H28ClN7O2S/c1-17-18(2)43-32-28(17)29(20-8-12-22(33)13-9-20)36-26(30-39-38-19(3)40(30)32)16-27(41)35-23-14-10-21(11-15-23)31(42)37-25-7-5-4-6-24(25)34/h4-15,26H,16,34H2,1-3H3,(H,35,41)(H,37,42)/t26-/m0/s1 | | Synonyms: | TW9 | | Definition date: | 2020-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-06 | | Identifier: | ~{N}-(2-aminophenyl)-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]benzamide |
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