 | | VKQ | | Name: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide | | Formula: | C23 H27 N5 O2 | | SMILES: | CCC1=Cc2ccc(CN3CCN(CC3)c4ccc(nc4)C(=O)NC)cc2NC1=O | | InChi: | InChI=1S/C23H27N5O2/c1-3-17-13-18-5-4-16(12-21(18)26-22(17)29)15-27-8-10-28(11-9-27)19-6-7-20(25-14-19)23(30)24-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,24,30)(H,26,29) | | Definition date: | 2021-05-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide |
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 | | VKT | | Name: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one | | Formula: | C21 H27 N5 O | | SMILES: | CCC1=Cc2ccc(CN3CCN(CC3)c4ncc(C)n4C)cc2NC1=O | | InChi: | InChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27) | | Definition date: | 2021-05-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one |
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 | | VKW | | Name: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one | | Formula: | C20 H25 Cl N6 O | | SMILES: | Cn1c(C)cnc1N2CCN(CCCC3=Nc4c(Cl)cccc4C(=O)N3)CC2 | | InChi: | InChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28) | | Definition date: | 2021-05-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one |
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 | | G4O | | Name: | propan-2-amine | | Formula: | C3 H9 N | | SMILES: | CC(C)N | | InChi: | InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 | | Definition date: | 2020-07-21 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | propan-2-amine |
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 | | G60 | | Name: | 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine | | Formula: | C11 H13 Cl N2 | | SMILES: | Cc1[nH]c2ccc(Cl)cc2c1CCN | | InChi: | InChI=1S/C11H13ClN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3 | | Definition date: | 2020-07-30 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)ethanamine |
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 | | 5ZL | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C9 H17 N2 O18 P4 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[n+]2ccc(O[P](O)(O)=O)nc2O | | InChi: | InChI=1S/C9H16N2O18P4/c12-6-4(3-25-32(21,22)29-33(23,24)28-31(18,19)20)26-8(7(6)13)11-2-1-5(10-9(11)14)27-30(15,16)17/h1-2,4,6-8,12-13H,3H2,(H6,15,16,17,18,19,20,21,22,23,24)/p+1/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2021-09-07 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-ium-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | GQR | | Name: | (1~{S})-2,3-dihydro-1~{H}-inden-1-amine | | Formula: | C9 H11 N | | SMILES: | N[CH]1CCc2ccccc12 | | InChi: | InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1 | | Definition date: | 2020-09-23 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | (1~{S})-2,3-dihydro-1~{H}-inden-1-amine |
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 | | 0RI | | Name: | Orladeyo | | Formula: | C30 H26 F4 N6 O | | SMILES: | N#Cc1cccc(c1)C(NCC1CC1)c1cc(NC(=O)c2cc(nn2c2cccc(CN)c2)C(F)(F)F)c(F)cc1 | | InChi: | InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1 | | Synonyms: | 1-[3-(aminomethyl)phenyl]-N-(5-{(R)-[3-(aminomethyl)phenyl][(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | | Definition date: | 2021-06-14 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 1-[3-(aminomethyl)phenyl]-N-(5-{(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
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 | | 860 | | Name: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H13 Cl N2 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H13ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21) | | Definition date: | 2021-09-08 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | 87H | | Name: | (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide | | Formula: | C18 H15 F N2 O | | SMILES: | Fc1cccc(c1)C(C)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C18H15FN2O/c1-12(13-6-4-7-15(19)9-13)18(22)21-17-11-20-10-14-5-2-3-8-16(14)17/h2-12H,1H3,(H,21,22)/t12-/m1/s1 | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide |
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 | | H5L | | Name: | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate | | Formula: | C30 H42 N7 O19 P3 S | | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(O)c(O)c4 | | InChi: | InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23-,24-,25+,29-/m1/s1 | | Synonyms: | Caffeoyl-CoA | | Definition date: | 2020-11-13 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate |
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 | | H8C | | Name: | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one | | Formula: | C24 H20 N2 O2 | | SMILES: | C[CH](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5ccccc5 | | InChi: | InChI=1S/C24H20N2O2/c1-14-22(16(3)28-25-14)19-12-13-21-23-18(19)10-7-11-20(23)24(27)26(21)15(2)17-8-5-4-6-9-17/h4-13,15H,1-3H3/t15-/m1/s1 | | Definition date: | 2020-11-24 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1~{R})-1-phenylethyl]benzo[cd]indol-2-one |
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 | | 5IB | | Name: | ~{N}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide | | Formula: | C21 H16 N2 O5 | | SMILES: | COc1ccc(cc1NC(=O)c2cccc3c2oc4ccccc34)C(=O)NO | | InChi: | InChI=1S/C21H16N2O5/c1-27-18-10-9-12(20(24)23-26)11-16(18)22-21(25)15-7-4-6-14-13-5-2-3-8-17(13)28-19(14)15/h2-11,26H,1H3,(H,22,25)(H,23,24) | | Definition date: | 2021-07-09 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | ~{N}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide |
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 | | UCW | | Name: | tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | | Formula: | C26 H38 N8 O3 | | SMILES: | COc1cc(ccc1NC(=O)OC(C)(C)C)c2nn(CCN3CCC(CC3)N(C)C)c4ncnc(N)c24 | | InChi: | InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29) | | Synonyms: | ~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate | | Definition date: | 2021-02-10 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | ~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate |
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 | | UJK | | Name: | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid | | Formula: | C10 H9 N3 O2 | | SMILES: | Cc1ccccc1n2cc(nn2)C(O)=O | | InChi: | InChI=1S/C10H9N3O2/c1-7-4-2-3-5-9(7)13-6-8(10(14)15)11-12-13/h2-6H,1H3,(H,14,15) | | Synonyms: | 1-o-tolyl-1H-[1,2,3]triazole-4-carboxylic acid, 1-(2-methylphenyl)triazole-4-carboxylic acid, Z2327226104 | | Definition date: | 2021-02-24 | | Last modified: | 2021-09-08 | | Release date: | 2021-04-07 | | Identifier: | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid |
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 | | YGY | | Name: | Cryptophycin 52 | | Formula: | C36 H45 Cl N2 O8 | | SMILES: | COc1ccc(cc1Cl)CC1NC(=O)C=CCC(OC(=O)C(OC(=O)C(C)(C)CNC1=O)CC(C)C)C(C)C1OC1c1ccccc1 | | InChi: | InChI=1S/C36H45ClN2O8/c1-21(2)17-29-34(42)45-27(22(3)31-32(47-31)24-11-8-7-9-12-24)13-10-14-30(40)39-26(19-23-15-16-28(44-6)25(37)18-23)33(41)38-20-36(4,5)35(43)46-29/h7-12,14-16,18,21-22,26-27,29,31-32H,13,17,19-20H2,1-6H3,(H,38,41)(H,39,40)/b14-10-/t22-,26-,27-,29-,31+,32+/m0/s1 | | Synonyms: | (3S,10S,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone | | Definition date: | 2021-03-04 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | (3S,10S,13Z,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
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 | | YNP | | Name: | Cryptophycin 1 | | Formula: | C35 H43 Cl N2 O8 | | SMILES: | COc1ccc(cc1Cl)CC1NC(=O)C=CCC(OC(=O)C(OC(=O)C(C)CNC1=O)CC(C)C)C(C)C1OC1c1ccccc1 | | InChi: | InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1 | | Synonyms: | (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone | | Definition date: | 2021-03-15 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
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 | | V5B | | Name: | methyl sulfate | | Formula: | C H4 O4 S | | SMILES: | CO[S](O)(=O)=O | | InChi: | InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4) | | Definition date: | 2021-04-15 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | methyl hydrogen sulfate |
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 | | VJG | | Name: | {(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid | | Formula: | C15 H16 N4 O3 | | SMILES: | c1(ccc(cc1)c2nnnn2)C(C3CCCC3CC(O)=O)=O | | InChi: | InChI=1S/C15H16N4O3/c20-13(21)8-11-2-1-3-12(11)14(22)9-4-6-10(7-5-9)15-16-18-19-17-15/h4-7,11-12H,1-3,8H2,(H,20,21)(H,16,17,18,19)/t11-,12+/m0/s1 | | Definition date: | 2020-08-17 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | {(1S,2R)-2-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid |
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 | | VJS | | Name: | {(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid | | Formula: | C17 H18 O7 | | SMILES: | C(C(C2C(C(c1ccc(cc1)CC(O)=O)=O)CCC2)C(O)=O)(O)=O | | InChi: | InChI=1S/C17H18O7/c18-13(19)8-9-4-6-10(7-5-9)15(20)12-3-1-2-11(12)14(16(21)22)17(23)24/h4-7,11-12,14H,1-3,8H2,(H,18,19)(H,21,22)(H,23,24)/t11-,12-/m1/s1 | | Definition date: | 2020-08-17 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | {(1R,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid |
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 | | G56 | | Name: | (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid | | Formula: | C18 H16 F3 N O5 | | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)COc2ccc(OC(F)(F)F)cc2 | | InChi: | InChI=1S/C18H16F3NO5/c19-18(20,21)27-14-8-6-13(7-9-14)26-11-16(23)22-15(17(24)25)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1 | | Definition date: | 2020-07-22 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | (2~{S})-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid |
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 | | VNS | | Name: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide | | Formula: | C31 H29 F N4 O3 S | | SMILES: | O=C(Nc1nccs1)C(c2cc(F)ccc2O)N6C(c3c(ccc(c3)c4ccc(cc4)C5CCN(C)CC5)C6)=O | | InChi: | InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)/t28-/m1/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide |
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 | | L84 | | Name: | (1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide | | Formula: | C34 H37 F3 N2 O6 S | | SMILES: | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCCN2CCCCC2)cc1 | | InChi: | InChI=1S/C34H37F3N2O6S/c35-34(36,37)22-39(25-9-15-28(16-10-25)44-20-4-19-38-17-2-1-3-18-38)46(42,43)30-21-29-31(23-5-11-26(40)12-6-23)32(33(30)45-29)24-7-13-27(41)14-8-24/h5-16,29-30,33,40-41H,1-4,17-22H2/t29-,30+,33+/m0/s1 | | Definition date: | 2019-02-11 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
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 | | 60I | | Name: | [4-[[3-(2,2-dimethylpropyl)-1~{H}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone | | Formula: | C24 H34 N6 O | | SMILES: | O=C(c1c(C)n(C)nc1C)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1 | | InChi: | InChI=1S/C24H34N6O/c1-17-22(18(2)27(6)26-17)23(31)29-13-11-28(12-14-29)15-21-25-19-9-7-8-10-20(19)30(21)16-24(3,4)5/h7-10H,11-16H2,1-6H3 | | Definition date: | 2021-07-30 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | (4-{[1-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl}piperazin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone |
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 | | J06 | | Name: | [(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,39S,43S)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate | | Formula: | C60 H107 O4 P | | SMILES: | CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](C)CCO[P](O)(O)=O | | InChi: | InChI=1S/C60H107O4P/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-64-65(61,62)63/h31,33,35,37,39,41,43,45,49-51,60H,14-30,32,34,36,38,40,42,44,46-48H2,1-13H3,(H2,61,62,63)/b52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t50-,51-,60-/m0/s1 | | Definition date: | 2021-03-09 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | [(3~{S},6~{Z},10~{Z},14~{Z},18~{Z},22~{Z},26~{Z},30~{Z},34~{Z},39~{S},43~{S})-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate |
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