 | | Q5N | | Name: | BCV-L6 | | Formula: | C41 H47 F N10 O12 | | SMILES: | CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)OCn4cc(CNC(=O)[CH](CCCCNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2 | | InChi: | InChI=1S/C41H47FN10O12/c1-24(53)44-20-27-22-52(41(62)64-27)26-11-12-32(30(42)18-26)49-14-16-50(17-15-49)40(61)63-23-51-21-25(47-48-51)19-45-39(60)31(46-38(59)29-7-5-10-34(55)36(29)57)8-2-3-13-43-37(58)28-6-4-9-33(54)35(28)56/h4-7,9-12,18,21,27,31,54-57H,2-3,8,13-17,19-20,22-23H2,1H3,(H,43,58)(H,44,53)(H,45,60)(H,46,59)/t27?,31-/m0/s1 | | Synonyms: | [4-[[[(2~{S})-2,6-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{R})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate | | Definition date: | 2020-05-18 | | Last modified: | 2021-03-13 | | Release date: | 2021-01-20 | | Identifier: | [4-[[[(2~{S})-2,6-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{R})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate |
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 | | RS4 | | Name: | 7-ethyl-10-hydroxycamptothecin | | Formula: | C22 H20 N2 O5 | | SMILES: | c32c(CC)c1c(ccc(c1)O)nc2C=4N(C3)C(C5=C(C=4)C(C(OC5)=O)(CC)O)=O | | InChi: | InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1 | | Synonyms: | (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | | Definition date: | 2020-02-24 | | Last modified: | 2021-03-13 | | Release date: | 2020-05-13 | | Identifier: | (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
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 | | LO2 | | Name: | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol | | Formula: | C22 H24 Cl F6 N O3 | | SMILES: | Clc1cc(cc(OC)c1OC)CN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CCCC | | InChi: | InChI=1S/C22H24ClF6NO3/c1-4-5-10-30(13-14-11-17(23)19(33-3)18(12-14)32-2)16-8-6-15(7-9-16)20(31,21(24,25)26)22(27,28)29/h6-9,11-12,31H,4-5,10,13H2,1-3H3 | | Synonyms: | 2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol | | Definition date: | 2008-11-21 | | Last modified: | 2021-03-13 | | Identifier: | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
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 | | PRT | | Name: | PHOSPHORIBOSYL ATP | | Formula: | C15 H25 N5 O20 P4 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=Nc3n(cnc3C2=N)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]4O | | InChi: | InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,25,26,27)(H2,28,29,30)/b16-12-/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Definition date: | 2003-08-15 | | Last modified: | 2021-03-13 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | OYE | | Name: | bn7GpppG mRNA 5' cap analog | | Formula: | C27 H31 N10 O18 P3 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccccc6)c7C(=O)N=C(N)Nc57)[CH](O)[CH]3O | | InChi: | InChI=1S/C27H33N10O18P3/c28-26-31-20-14(22(42)33-26)30-9-36(20)24-18(40)16(38)12(52-24)7-50-56(44,45)54-58(48,49)55-57(46,47)51-8-13-17(39)19(41)25(53-13)37-10-35(6-11-4-2-1-3-5-11)15-21(37)32-27(29)34-23(15)43/h1-5,9-10,12-13,16-19,24-25,38-41H,6-8H2,(H8-,28,29,31,32,33,34,42,43,44,45,46,47,48,49)/p-2/t12-,13-,16-,17-,18-,19-,24-,25-/m1/s1 | | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Definition date: | 2020-04-07 | | Last modified: | 2021-03-13 | | Release date: | 2020-04-15 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate |
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 | | LO7 | | Name: | Mitoglitazone | | Formula: | C19 H18 N2 O4 S | | SMILES: | c2(OCC(c1ccc(CC)cn1)=O)ccc(cc2)CC3SC(=O)NC3=O | | InChi: | InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m0/s1 | | Synonyms: | (5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione | | Definition date: | 2019-03-06 | | Last modified: | 2021-03-13 | | Release date: | 2019-11-06 | | Identifier: | (5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione |
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 | | 0KN | | Name: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide | | Formula: | C31 H43 N3 O6 | | SMILES: | O=C(NC(Cc2ccc1OCOc1c2)C(O)CNC4c3c(ncc(c3)CC(C)(C)C)OC5(C4)CCC5)C(OC)C | | InChi: | InChI=1S/C31H43N3O6/c1-19(37-5)28(36)34-23(12-20-7-8-26-27(13-20)39-18-38-26)25(35)17-32-24-15-31(9-6-10-31)40-29-22(24)11-21(16-33-29)14-30(2,3)4/h7-8,11,13,16,19,23-25,32,35H,6,9-10,12,14-15,17-18H2,1-5H3,(H,34,36)/t19-,23+,24+,25-/m1/s1 | | Synonyms: | (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide | | Definition date: | 2012-02-03 | | Last modified: | 2021-03-13 | | Identifier: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide |
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 | | OYW | | Name: | 4-Cl-Bn7GpppG mRNA 5' cap analog | | Formula: | C27 H33 Cl N10 O18 P3 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=Nc57)N)C(O)C3O | | InChi: | InChI=1S/C27H32ClN10O18P3/c28-11-3-1-10(2-4-11)5-36-9-38(21-15(36)23(44)35-27(30)33-21)25-19(42)17(40)13(54-25)7-52-58(47,48)56-59(49,50)55-57(45,46)51-6-12-16(39)18(41)24(53-12)37-8-31-14-20(37)32-26(29)34-22(14)43/h1-4,8-9,12-13,16-19,24-25,39-42H,5-7H2,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t12?,13-,16?,17-,18?,19-,24?,25-/m1/s1 | | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Definition date: | 2020-04-08 | | Last modified: | 2021-03-13 | | Release date: | 2020-06-10 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate |
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 | | Q6G | | Name: | Selpercatinib | | Formula: | C29 H31 N7 O3 | | SMILES: | CC(COc2cn1ncc(C#N)c1c(c2)c3cnc(cc3)N4CC5CC(C4)N5Cc6ccc(nc6)OC)(C)O | | InChi: | InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3/t22-,23+ | | Synonyms: | 6-(2-hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile | | Definition date: | 2019-09-24 | | Last modified: | 2021-03-13 | | Release date: | 2020-11-11 | | Identifier: | 6-(2-hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile |
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 | | Q6J | | Name: | 5alpha-dihydronandrolone | | Formula: | C18 H28 O2 | | SMILES: | C2(=O)CC1CCC3C(C1CC2)CCC4(C3CCC4O)C | | InChi: | InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13-,14+,15+,16-,17-,18-/m0/s1 | | Synonyms: | (5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one | | Definition date: | 2019-09-25 | | Last modified: | 2021-03-13 | | Release date: | 2020-05-20 | | Identifier: | (5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one |
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 | | KX7 | | Name: | Icilin | | Formula: | C16 H13 N3 O4 | | SMILES: | C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O | | InChi: | InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21) | | Synonyms: | 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one | | Definition date: | 2019-01-23 | | Last modified: | 2021-03-13 | | Release date: | 2019-02-20 | | Identifier: | 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one |
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 | | TUA | | Name: | prednisolone | | Formula: | C21 H28 O5 | | SMILES: | C2=CC(=O)C=C3CCC1C4C(CC(C1C23C)O)(C(CC4)(O)C(CO)=O)C | | InChi: | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | | Synonyms: | (11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione | | Definition date: | 2020-03-31 | | Last modified: | 2021-03-13 | | Release date: | 2020-11-04 | | Identifier: | (11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione |
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 | | SMX | | Name: | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Formula: | C18 H18 N6 O5 S2 | | SMILES: | O=C(O)C=2N4C(=O)C(NC(=O)C(O)c1ccccc1)C4SCC=2CSc3nnnn3C | | InChi: | InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1 | | Synonyms: | CEFAMANDOLE, free form | | Definition date: | 2010-09-17 | | Last modified: | 2021-03-13 | | Identifier: | (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | RFY | | Name: | I-paroxetine | | Formula: | C19 H20 I N O3 | | SMILES: | c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3)cc4)I | | InChi: | InChI=1S/C19H20INO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | | Synonyms: | (3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine | | Definition date: | 2020-02-11 | | Last modified: | 2021-03-13 | | Release date: | 2020-03-11 | | Identifier: | (3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine |
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 | | VII | | Name: | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | | Formula: | C18 H12 O5 | | SMILES: | O=C(O)c2c(oc(c1ccccc1)c2C(=O)O)c3ccccc3 | | InChi: | InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22) | | Synonyms: | 2-5-DIPHENYL-3,4-FURANDICARBOXYLIC ACID | | Definition date: | 2006-03-30 | | Last modified: | 2021-03-13 | | Identifier: | 2,5-diphenylfuran-3,4-dicarboxylic acid |
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 | | LPO | | Name: | (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide | | Formula: | C33 H38 Cl3 N3 O5 | | SMILES: | O=C(N(C1CC1)Cc2cc(ccc2Cl)CCOC)C5C(O)(c4ccc(OCCOc3c(Cl)cc(cc3Cl)C)nc4)CCNC5 | | InChi: | InChI=1S/C33H38Cl3N3O5/c1-21-15-28(35)31(29(36)16-21)44-14-13-43-30-8-4-24(18-38-30)33(41)10-11-37-19-26(33)32(40)39(25-5-6-25)20-23-17-22(9-12-42-2)3-7-27(23)34/h3-4,7-8,15-18,25-26,37,41H,5-6,9-14,19-20H2,1-2H3/t26-,33+/m1/s1 | | Synonyms: | (3'S,4'R)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-4'-hydroxy-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxy-ethyl)-benzyl]-cyclopropyl-amide | | Definition date: | 2010-08-12 | | Last modified: | 2021-03-13 | | Identifier: | (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide |
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 | | TUV | | Name: | vamorolone | | Formula: | C22 H28 O4 | | SMILES: | C12(C)C=CC(=O)C=C1CCC4C2=CCC3(C)C(C(CO)=O)(C(CC34)C)O | | InChi: | InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18-,20+,21+,22+/m1/s1 | | Synonyms: | (8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione | | Definition date: | 2020-04-01 | | Last modified: | 2021-03-13 | | Release date: | 2020-11-04 | | Identifier: | (8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione |
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 | | LPQ | | Name: | (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide | | Formula: | C34 H39 Cl3 N4 O3 | | SMILES: | O=C(N(C1CC1)Cc2cc(ccc2Cl)CNC3CC3)C6C(c5ccc(OCCOc4c(Cl)cc(cc4Cl)C)nc5)CCNC6 | | InChi: | InChI=1S/C34H39Cl3N4O3/c1-21-14-30(36)33(31(37)15-21)44-13-12-43-32-9-3-23(18-40-32)27-10-11-38-19-28(27)34(42)41(26-6-7-26)20-24-16-22(2-8-29(24)35)17-39-25-4-5-25/h2-3,8-9,14-16,18,25-28,38-39H,4-7,10-13,17,19-20H2,1H3/t27-,28+/m1/s1 | | Synonyms: | (3'R,4'S)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid (2-chloro-5-cyclopropylaminomethyl-benzyl)-cyclopropyl-amide | | Definition date: | 2010-08-11 | | Last modified: | 2021-03-13 | | Identifier: | (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide |
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 | | MXF | | Name: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid | | Formula: | C17 H22 N4 O7 S | | SMILES: | O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)NCCN | | InChi: | InChI=1S/C17H22N4O7S/c1-17(29(26)27,10-28-16(25)19-6-5-18)13(15(23)24)20-14-11(9-22)8-12-4-2-3-7-21(12)14/h2-4,7-9,13,20H,5-6,10,18H2,1H3,(H,19,25)(H,23,24)(H,26,27)/t13-,17-/m0/s1 | | Synonyms: | penam sulfone SA3-53, open form | | Definition date: | 2009-01-28 | | Last modified: | 2021-03-13 | | Identifier: | (3R)-4-{[(2-aminoethyl)carbamoyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine |
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 | | PTK | | Name: | pyrene-1,3,6,8-tetrasulfonic acid | | Formula: | C16 H10 O12 S4 | | SMILES: | O=S(=O)(O)c4cc(c2ccc1c(cc(c3c1c2c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | | InChi: | InChI=1S/C16H10O12S4/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28) | | Synonyms: | 1,3,6,8-pyrenetetrasulfonic acid | | Definition date: | 2009-08-27 | | Last modified: | 2021-03-13 | | Identifier: | pyrene-1,3,6,8-tetrasulfonic acid |
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 | | SNE | | Name: | Sabinene | | Formula: | C10 H16 | | SMILES: | C=C1/CCC2(C(C)C)CC12 | | InChi: | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1 | | Synonyms: | (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane | | Definition date: | 2014-11-06 | | Last modified: | 2021-03-13 | | Release date: | 2015-01-28 | | Identifier: | (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane |
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 | | P06 | | Name: | Dabrafenib | | Formula: | C23 H20 F3 N5 O2 S2 | | SMILES: | c4(N)nc(c1c(nc(s1)C(C)(C)C)c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)ccn4 | | InChi: | InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | | Synonyms: | N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide | | Definition date: | 2013-04-11 | | Last modified: | 2021-03-13 | | Release date: | 2015-10-28 | | Identifier: | N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
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 | | P0C | | Name: | 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one | | Formula: | C12 H15 N3 O5 | | SMILES: | O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)C=C(N3)C | | InChi: | InChI=1S/C12H15N3O5/c1-5-2-6-3-15(12(19)14-10(6)13-5)11-9(18)8(17)7(4-16)20-11/h2-3,7-9,11,16-18H,4H2,1H3,(H,13,14,19)/t7-,8-,9-,11-/m1/s1 | | Synonyms: | 6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one | | Definition date: | 2014-05-16 | | Last modified: | 2021-03-13 | | Release date: | 2014-08-13 | | Identifier: | 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one |
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 | | SNS | | Name: | 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine | | Formula: | C27 H31 F2 N5 O2 | | SMILES: | O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5 | | InChi: | InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m0/s1 | | Synonyms: | N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide} | | Definition date: | 2010-07-27 | | Last modified: | 2021-03-13 | | Identifier: | N,N'-acridine-3,6-diylbis{3-[(3S)-3-fluoropyrrolidin-1-yl]propanamide} |
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 | | VJ6 | | Name: | valerjesomycin | | Formula: | C28 H41 N3 O9 | | SMILES: | O=C2Nc1cc(cc(OC)c1)COCC(OC)C(OC)C(C=C(C(OC(=O)N)C(OC(=O)N)CCC=C2C)C)C | | InChi: | InChI=1S/C28H41N3O9/c1-16-8-7-9-22(39-27(29)33)25(40-28(30)34)18(3)10-17(2)24(37-6)23(36-5)15-38-14-19-11-20(31-26(16)32)13-21(12-19)35-4/h8,10-13,17,22-25H,7,9,14-15H2,1-6H3,(H2,29,33)(H2,30,34)(H,31,32)/b16-8+,18-10+/t17-,22-,23-,24+,25-/m0/s1 | | Synonyms: | (4E,8S,9S,10E,12S,13R,14S)-13,14,20-trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate | | Definition date: | 2013-03-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-10 | | Identifier: | (4E,8S,9S,10E,12S,13R,14S)-13,14,20-trimethoxy-4,10,12-trimethyl-3-oxo-16-oxa-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaene-8,9-diyl dicarbamate |
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