 | | 9OC | | Name: | 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | Formula: | C25 H29 N4 O10 P | | SMILES: | C2(C=3N(c1cc(C)c(C)cc1N(C=3NC(N2)=O)CC(C(C(COP(O)(O)=O)O)O)O)C(Cc4ccccc4)=O)=O | | InChi: | InChI=1S/C25H29N4O10P/c1-13-8-16-17(9-14(13)2)29(20(32)10-15-6-4-3-5-7-15)21-23(26-25(35)27-24(21)34)28(16)11-18(30)22(33)19(31)12-39-40(36,37)38/h3-9,18-19,22,30-31,33H,10-12H2,1-2H3,(H2,36,37,38)(H2,26,27,34,35)/t18-,19+,22-/m0/s1 | | Definition date: | 2018-06-13 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | 9OU | | Name: | 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol | | Formula: | C24 H27 N4 O10 P | | SMILES: | C1(C3=C(NC(N1)=O)N(c2c(cc(C)c(C)c2)N3C(=O)c4ccccc4)CC(C(C(COP(=O)(O)O)O)O)O)=O | | InChi: | InChI=1S/C24H27N4O10P/c1-12-8-15-16(9-13(12)2)28(23(33)14-6-4-3-5-7-14)19-21(25-24(34)26-22(19)32)27(15)10-17(29)20(31)18(30)11-38-39(35,36)37/h3-9,17-18,20,29-31H,10-11H2,1-2H3,(H2,35,36,37)(H2,25,26,32,34)/t17-,18+,20-/m0/s1 | | Definition date: | 2018-06-15 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol |
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 | | 9P9 | | Name: | 1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol | | Formula: | C22 H28 F N4 O13 P | | SMILES: | OP(=O)(O)OCC(O)C(C(CN2c1cc(C)c(C)cc1N(C(=O)CC(C(O)=O)(O)CF)C3=C2NC(NC3=O)=O)O)O | | InChi: | InChI=1S/C22H28FN4O13P/c1-9-3-11-12(4-10(9)2)27(15(30)5-22(36,8-23)20(33)34)16-18(24-21(35)25-19(16)32)26(11)6-13(28)17(31)14(29)7-40-41(37,38)39/h3-4,13-14,17,28-29,31,36H,5-8H2,1-2H3,(H,33,34)(H2,37,38,39)(H2,24,25,32,35)/t13-,14+,17-,22+/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol |
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 | | 9PF | | Name: | 1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol | | Formula: | C19 H26 F N4 O10 P | | SMILES: | Cc1cc2c(cc1C)N(C(O)CF)C3=C(N2CC(C(O)C(COP(O)(O)=O)O)O)NC(NC3=O)=O | | InChi: | InChI=1S/C19H26FN4O10P/c1-8-3-10-11(4-9(8)2)24(14(27)5-20)15-17(21-19(30)22-18(15)29)23(10)6-12(25)16(28)13(26)7-34-35(31,32)33/h3-4,12-14,16,25-28H,5-7H2,1-2H3,(H2,31,32,33)(H2,21,22,29,30)/t12-,13+,14-,16-/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol |
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 | | 9PX | | Name: | 1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | Formula: | C19 H25 N4 O13 P | | SMILES: | Cc1cc3c(cc1C)N(C=2C(C(=O)NC(N=2)=O)(N3)OOC(=O)OC)CC(C(C(O)COP(O)(=O)O)O)O | | InChi: | InChI=1S/C19H25N4O13P/c1-8-4-10-11(5-9(8)2)23(6-12(24)14(26)13(25)7-34-37(30,31)32)15-19(22-10,36-35-18(29)33-3)16(27)21-17(28)20-15/h4-5,12-14,22,24-26H,6-7H2,1-3H3,(H,21,27,28)(H2,30,31,32)/t12-,13+,14-,19-/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | 9Q0 | | Name: | 1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol | | Formula: | C25 H30 N5 O11 P | | SMILES: | C4(c2c([n+](c1cc(c(cc1[n+]2C(c3ccccc3)(C(=O)N)O)C)C)CC(C(C(O)COP(O)(O)=O)O)O)NC(N4)=O)=O | | InChi: | InChI=1S/C25H28N5O11P/c1-12-8-15-16(9-13(12)2)30(25(37,23(26)35)14-6-4-3-5-7-14)19-21(27-24(36)28-22(19)34)29(15)10-17(31)20(33)18(32)11-41-42(38,39)40/h3-9,17-18,20,31-33,37H,10-11H2,1-2H3,(H4-,26,28,34,35,36,38,39,40)/p+2/t17-,18+,20-,25-/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol |
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 | | 9Q6 | | Name: | 1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | Formula: | C17 H23 N4 O10 P | | SMILES: | Cc1cc3c(cc1C)N(C=2C(C(=O)NC(N=2)=O)(O)N3)CC(C(C(O)COP(O)(O)=O)O)O | | InChi: | InChI=1S/C17H23N4O10P/c1-7-3-9-10(4-8(7)2)21(14-17(27,20-9)15(25)19-16(26)18-14)5-11(22)13(24)12(23)6-31-32(28,29)30/h3-4,11-13,20,22-24,27H,5-6H2,1-2H3,(H,19,25,26)(H2,28,29,30)/t11-,12+,13-,17-/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | H9G | | Name: | (3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine | | Formula: | C18 H16 N8 O2 | | SMILES: | c1(cccc(c1)c2nnnn2)Oc5c3c(OCC3C)c4c(N)nc(nc4c5)N | | InChi: | InChI=1S/C18H16N8O2/c1-8-7-27-15-13(8)12(6-11-14(15)16(19)22-18(20)21-11)28-10-4-2-3-9(5-10)17-23-25-26-24-17/h2-6,8H,7H2,1H3,(H4,19,20,21,22)(H,23,24,25,26)/t8-/m0/s1 | | Definition date: | 2018-06-18 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | (3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine |
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 | | F3K | | Name: | Ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine) | | Formula: | C38 H21 Br N12 Ru | | SMILES: | Brc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1 | | InChi: | InChI=1S/C18H9BrN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15 | | Definition date: | 2018-05-24 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 |
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 | | HOJ | | Name: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide | | Formula: | C26 H27 N3 O5 | | SMILES: | n3c(ccc4C(C(Nc1ccc(cc1)OCc2ccccc2OC)=O)N(CCc34)C(C)=O)OC | | InChi: | InChI=1S/C26H27N3O5/c1-17(30)29-15-14-22-21(12-13-24(28-22)33-3)25(29)26(31)27-19-8-10-20(11-9-19)34-16-18-6-4-5-7-23(18)32-2/h4-13,25H,14-16H2,1-3H3,(H,27,31)/t25-/m1/s1 | | Definition date: | 2018-07-16 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide |
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 | | BQC | | Name: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione | | Formula: | C21 H18 N4 O4 S | | SMILES: | S2(=O)(Nc1ccc(cc1C2)C(=O)N3CCC4=C(C3)C(=O)N=C(N4)c5ccccc5)=O | | InChi: | InChI=1S/C21H18N4O4S/c26-20-16-11-25(9-8-18(16)22-19(23-20)13-4-2-1-3-5-13)21(27)14-6-7-17-15(10-14)12-30(28,29)24-17/h1-7,10,24H,8-9,11-12H2,(H,22,23,26) | | Definition date: | 2019-02-28 | | Last modified: | 2019-05-30 | | Release date: | 2019-06-05 | | Identifier: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione |
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 | | HLB | | Name: | 5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide | | Formula: | C45 H65 N4 O5 | | SMILES: | CN1c2ccccc2C(C)(C)C1=CC=CC=CC3=[N+](CCCCC(=O)NCCCCCCCCN[CH]4C[CH](O)[CH](O)[CH](O)[CH]4O)c5ccccc5C3(C)C | | InChi: | InChI=1S/C45H64N4O5/c1-44(2)32-21-13-15-23-35(32)48(5)38(44)25-11-10-12-26-39-45(3,4)33-22-14-16-24-36(33)49(39)30-20-17-27-40(51)47-29-19-9-7-6-8-18-28-46-34-31-37(50)42(53)43(54)41(34)52/h10-16,21-26,34,37,41-43,46,50,52-54H,6-9,17-20,27-31H2,1-5H3/p+1/t34-,37-,41+,42+,43+/m1/s1 | | Definition date: | 2018-12-13 | | Last modified: | 2019-05-30 | | Release date: | 2019-06-05 | | Identifier: | 5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide |
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 | | HZB | | Name: | (1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol | | Formula: | C11 H20 O9 | | SMILES: | O[CH]1CO[CH](O[CH]2C[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O | | InChi: | InChI=1S/C11H20O9/c12-3-1-5(8(16)9(17)6(3)14)20-11-10(18)7(15)4(13)2-19-11/h3-18H,1-2H2/t3-,4-,5-,6?,7+,8+,9+,10-,11+/m1/s1 | | Definition date: | 2019-01-07 | | Last modified: | 2019-05-30 | | Release date: | 2019-06-05 | | Identifier: | (1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol |
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 | | L8D | | Name: | (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide | | Formula: | C23 H24 N6 O3 | | SMILES: | c1c2c(cc(OC)n1)CCC(C(N2C)=O)NC(=O)c3nc5n(n3)C(c4ccccc4)CC5 | | InChi: | InChI=1S/C23H24N6O3/c1-28-18-13-24-20(32-2)12-15(18)8-9-16(23(28)31)25-22(30)21-26-19-11-10-17(29(19)27-21)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H,25,30)/t16-,17-/m0/s1 | | Definition date: | 2019-02-12 | | Last modified: | 2019-05-24 | | Release date: | 2019-05-29 | | Identifier: | (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide |
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 | | JUJ | | Name: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one | | Formula: | C18 H16 Cl2 N4 O2 | | SMILES: | C4N(C(CO)=O)Cc1c(nc3c1c(c2cnc(N)cc2)cc(c3Cl)Cl)C4 | | InChi: | InChI=1S/C18H16Cl2N4O2/c19-12-5-10(9-1-2-14(21)22-6-9)16-11-7-24(15(26)8-25)4-3-13(11)23-18(16)17(12)20/h1-2,5-6,23,25H,3-4,7-8H2,(H2,21,22) | | Definition date: | 2018-09-24 | | Last modified: | 2019-05-24 | | Release date: | 2019-05-29 | | Identifier: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one |
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 | | JUM | | Name: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one | | Formula: | C16 H14 Cl2 N4 O2 | | SMILES: | C1c2c(CCN1C(CO)=O)nc3c2c(cc(c3Cl)Cl)c4cnnc4 | | InChi: | InChI=1S/C16H14Cl2N4O2/c17-11-3-9(8-4-19-20-5-8)14-10-6-22(13(24)7-23)2-1-12(10)21-16(14)15(11)18/h3-5,21,23H,1-2,6-7H2,(H,19,20) | | Definition date: | 2018-09-25 | | Last modified: | 2019-05-24 | | Release date: | 2019-05-29 | | Identifier: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one |
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 | | 68G | | Name: | 13'2-hydroxyl-Chlorophyll a | | Formula: | C55 H72 Mg N4 O6 | | SMILES: | C(C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)CCC2=C(C)C1=CC9=N8[Mg]56N1C2=C3C(C(=O)OC)(O)C(=O)C4=C(C)C(N5=C34)=Cc7n6c(c(c7CC)C)C=C8C(=C9C)CC | | InChi: | InChI=1S/C55H73N4O6.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42 | | Definition date: | 2016-02-17 | | Last modified: | 2019-05-22 | | Release date: | 2016-05-04 | | Identifier: | [methyl 9,14-diethyl-21-hydroxy-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
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 | | LOD | | Name: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid | | Formula: | C23 H24 Cl N O3 | | SMILES: | c5c(Cl)cc4CCC2(COc1ccc(cc1N(C2)CC3CCC3)C(O)=O)c4c5 | | InChi: | InChI=1S/C23H24ClNO3/c24-18-5-6-19-16(10-18)8-9-23(19)13-25(12-15-2-1-3-15)20-11-17(22(26)27)4-7-21(20)28-14-23/h4-7,10-11,15H,1-3,8-9,12-14H2,(H,26,27)/t23-/m0/s1 | | Definition date: | 2019-03-07 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid |
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 | | LOJ | | Name: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid | | Formula: | C21 H21 Cl2 N O3 | | SMILES: | c4c(c(C1COc3ccc(cc3N(C1)CC2CCC2)C(O)=O)ccc4Cl)Cl | | InChi: | InChI=1S/C21H21Cl2NO3/c22-16-5-6-17(18(23)9-16)15-11-24(10-13-2-1-3-13)19-8-14(21(25)26)4-7-20(19)27-12-15/h4-9,13,15H,1-3,10-12H2,(H,25,26)/t15-/m0/s1 | | Definition date: | 2019-03-07 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid |
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 | | FJK | | Name: | 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea | | Formula: | C37 H41 N9 O3 | | SMILES: | O=C(Nc1cc(COCc2cn(CCNC3=C4C=CC=CC4=N[CH]5CCCC[CH]35)nn2)ccn1)Nc6cccc7C(=O)N8CCCC[CH]8c67 | | InChi: | InChI=1S/C37H41N9O3/c47-36-28-10-7-13-31(34(28)32-14-5-6-18-46(32)36)41-37(48)42-33-20-24(15-16-38-33)22-49-23-25-21-45(44-43-25)19-17-39-35-26-8-1-3-11-29(26)40-30-12-4-2-9-27(30)35/h1,3,7-8,10-11,13,15-16,20-21,27,30,32,39H,2,4-6,9,12,14,17-19,22-23H2,(H2,38,41,42,48)/t27?,30?,32-/m1/s1 | | Definition date: | 2018-07-12 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea |
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 | | FJN | | Name: | [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium | | Formula: | C38 H45 N10 O2 | | SMILES: | C[NH+](Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCC[CH]4c23)c1)Cc5cn(CCNC6=C7C=CC=CC7=N[CH]8CCCC[CH]68)nn5 | | InChi: | InChI=1S/C38H44N10O2/c1-46(23-26-24-47(45-44-26)20-18-40-36-27-9-2-4-12-30(27)41-31-13-5-3-10-28(31)36)22-25-16-17-39-34(21-25)43-38(50)42-32-14-8-11-29-35(32)33-15-6-7-19-48(33)37(29)49/h2,4,8-9,11-12,14,16-17,21,24,28,31,33,40H,3,5-7,10,13,15,18-20,22-23H2,1H3,(H2,39,42,43,50)/p+1/t28?,31?,33-/m0/s1 | | Definition date: | 2018-07-12 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium |
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 | | HU8 | | Name: | ~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide | | Formula: | C28 H30 Cl2 F N7 O | | SMILES: | CC(C)(C)NC(=O)Cc1ccc(Cl)cc1n2c(nc(c3[nH]nnn3)c2c4ccc(F)c(Cl)c4)C5CCCCC5 | | InChi: | InChI=1S/C28H30Cl2FN7O/c1-28(2,3)33-23(39)14-17-9-11-19(29)15-22(17)38-25(18-10-12-21(31)20(30)13-18)24(26-34-36-37-35-26)32-27(38)16-7-5-4-6-8-16/h9-13,15-16H,4-8,14H2,1-3H3,(H,33,39)(H,34,35,36,37) | | Definition date: | 2018-12-19 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | ~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide |
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 | | FW8 | | Name: | 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea | | Formula: | C35 H35 N9 O2 | | SMILES: | O=C(Nc1cc(ccn1)c2cn(CCNc3c4CCCCc4nc5ccccc35)nn2)Nc6cccc7C(=O)N8CCCC[CH]8c67 | | InChi: | InChI=1S/C35H35N9O2/c45-34-25-10-7-13-28(32(25)30-14-5-6-18-44(30)34)39-35(46)40-31-20-22(15-16-36-31)29-21-43(42-41-29)19-17-37-33-23-8-1-3-11-26(23)38-27-12-4-2-9-24(27)33/h1,3,7-8,10-11,13,15-16,20-21,30H,2,4-6,9,12,14,17-19H2,(H,37,38)(H2,36,39,40,46)/t30-/m0/s1 | | Definition date: | 2018-08-03 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea |
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 | | JUK | | Name: | 2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2S)-oxolan-2-yl]methyl}carbamoyl)-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium | | Formula: | C22 H22 N5 O4 | | SMILES: | C1CCOC1CNC(=O)c4cc2C(N5C=CC=CC5=Nc2[n+](Cc3ccco3)c4N)=O | | InChi: | InChI=1S/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-2,4,6-8,10-11,14,23H,3,5,9,12-13H2,(H,24,28)/p+1/t14-/m0/s1 | | Definition date: | 2019-01-31 | | Last modified: | 2019-05-10 | | Release date: | 2019-05-15 | | Identifier: | 2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2S)-oxolan-2-yl]methyl}carbamoyl)-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium |
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 | | 75F | | Name: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one | | Formula: | C20 H23 N3 O | | SMILES: | CCC2(C1C(CC(CC1=Nc3nncc23)(C)C)=O)c4ccccc4 | | InChi: | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12,17H,4,10-11H2,1-3H3,(H,21,23)/t17-,20-/m0/s1 | | Definition date: | 2016-08-26 | | Last modified: | 2019-05-08 | | Release date: | 2018-02-21 | | Identifier: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
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