![KW8 KW8](https://data.pdbj.org/pdbjplus/data/cc/svg/KW8.svg) | KW8 | Name: | (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | Formula: | C13 H16 N2 | SMILES: | CC[CH]1NCCc2c1[nH]c3ccccc23 | InChi: | InChI=1S/C13H16N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-6,11,14-15H,2,7-8H2,1H3/t11-/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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![KWH KWH](https://data.pdbj.org/pdbjplus/data/cc/svg/KWH.svg) | KWH | Name: | (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | Formula: | C14 H18 N2 | SMILES: | CCC[CH]1NCCc2c1[nH]c3ccccc23 | InChi: | InChI=1S/C14H18N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-4,6-7,13,15-16H,2,5,8-9H2,1H3/t13-/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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![KWQ KWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KWQ.svg) | KWQ | Name: | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | Formula: | C15 H20 N2 | SMILES: | CC(C)C[CH]1NCCc2c1[nH]c3ccccc23 | InChi: | InChI=1S/C15H20N2/c1-10(2)9-14-15-12(7-8-16-14)11-5-3-4-6-13(11)17-15/h3-6,10,14,16-17H,7-9H2,1-2H3/t14-/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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![R7V R7V](https://data.pdbj.org/pdbjplus/data/cc/svg/R7V.svg) | R7V | Name: | (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid | Formula: | C30 H29 F8 N O5 S | SMILES: | c1c(cc2c(c1)C3(C(CC2)N(CC3)C(=O)C4CCC(CC4C)C(O)=O)S(c5ccc(cc5)F)(=O)=O)C(C(F)(F)F)(F)C(F)(F)F | InChi: | InChI=1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1 | Definition date: | 2020-02-06 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid |
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![RGD RGD](https://data.pdbj.org/pdbjplus/data/cc/svg/RGD.svg) | RGD | Name: | cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone | Formula: | C14 H23 N O4 | SMILES: | C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO | InChi: | InChI=1S/C14H23NO4/c16-5-4-14-9-15(13(18)10-2-1-3-10)7-11(14)6-12(8-17)19-14/h10-12,16-17H,1-9H2/t11-,12-,14+/m0/s1 | Definition date: | 2020-02-12 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone |
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![RH7 RH7](https://data.pdbj.org/pdbjplus/data/cc/svg/RH7.svg) | RH7 | Name: | methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate | Formula: | C13 H15 N3 O3 | SMILES: | c41nccnc1C3CC2CN(C(OC)=O)CC2(O3)C4 | InChi: | InChI=1S/C13H15N3O3/c1-18-12(17)16-6-8-4-10-11-9(14-2-3-15-11)5-13(8,7-16)19-10/h2-3,8,10H,4-7H2,1H3/t8-,10-,13+/m0/s1 | Definition date: | 2020-02-12 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate |
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![RK1 RK1](https://data.pdbj.org/pdbjplus/data/cc/svg/RK1.svg) | RK1 | Name: | (7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide | Formula: | C17 H25 N3 O | SMILES: | C(C1(CC=NCCN1CC)C(=O)NCc2ccccc2)C | InChi: | InChI=1S/C17H25N3O/c1-3-17(10-11-18-12-13-20(17)4-2)16(21)19-14-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-14H2,1-2H3,(H,19,21)/t17-/m1/s1 | Definition date: | 2020-02-13 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide |
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![S3O S3O](https://data.pdbj.org/pdbjplus/data/cc/svg/S3O.svg) | S3O | Name: | N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | Formula: | C18 H21 N3 O | SMILES: | C2CNc1cc(NC(=O)C)nc(c1C2)c3cccc(c3C)C | InChi: | InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22) | Definition date: | 2019-10-25 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide |
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![LSY LSY](https://data.pdbj.org/pdbjplus/data/cc/svg/LSY.svg) | LSY | Name: | N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide | Formula: | C6 H14 N4 O2 | SMILES: | CN(C)C(NNC(=O)N(C)C)=O | InChi: | InChI=1S/C6H14N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,(H,7,11)(H,8,12) | Definition date: | 2019-03-13 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide |
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![DU9 DU9](https://data.pdbj.org/pdbjplus/data/cc/svg/DU9.svg) | DU9 | Name: | 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one | Formula: | C27 H35 F N6 O3 | SMILES: | C[CH]1CN(C[CH](C)O1)c2cc(F)c3c(c2)N(C)C(=O)C34CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5 | InChi: | InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+ | Definition date: | 2019-08-28 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | 6-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one |
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![N18 N18](https://data.pdbj.org/pdbjplus/data/cc/svg/N18.svg) | N18 | Name: | methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate | Formula: | C9 H11 N3 O5 | SMILES: | N(CCC(OC)=O)C(C=1NC(=O)NC(C=1)=O)=O | InChi: | InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16) | Definition date: | 2019-07-23 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate |
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![P1J P1J](https://data.pdbj.org/pdbjplus/data/cc/svg/P1J.svg) | P1J | Name: | N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine | Formula: | C8 H9 N3 O5 | SMILES: | C(C(O)=O)CNC(C=1NC(=O)NC(C=1)=O)=O | InChi: | InChI=1S/C8H9N3O5/c12-5-3-4(10-8(16)11-5)7(15)9-2-1-6(13)14/h3H,1-2H2,(H,9,15)(H,13,14)(H2,10,11,12,16) | Definition date: | 2019-07-23 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine |
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![JNT JNT](https://data.pdbj.org/pdbjplus/data/cc/svg/JNT.svg) | JNT | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate | Formula: | C15 H25 N5 O14 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO)[CH](O)[CH]3O | InChi: | InChI=1S/C15H25N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h4-8,10-12,15,21-26H,1-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t6-,7+,8+,10-,11+,12+,15+/m0/s1 | Definition date: | 2019-03-13 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
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![JQ2 JQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/JQ2.svg) | JQ2 | Name: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C34 H38 N4 O6 | SMILES: | CCC1=C(C)C2=CC3=NC(=Cc4[nH]c(C=C5NC(=O)C(=C5CC)C)c(C)c4CCC(O)=O)C(=C3CCN2C1=O)CCC(O)=O | InChi: | InChI=1S/C34H38N4O6/c1-6-20-19(5)33(43)37-26(20)14-25-17(3)22(8-10-31(39)40)27(35-25)15-28-23(9-11-32(41)42)24-12-13-38-30(16-29(24)36-28)18(4)21(7-2)34(38)44/h14-16,35H,6-13H2,1-5H3,(H,37,43)(H,39,40)(H,41,42)/b26-14-,28-15- | Definition date: | 2019-03-15 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![L5E L5E](https://data.pdbj.org/pdbjplus/data/cc/svg/L5E.svg) | L5E | Name: | [(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium | Formula: | C11 H14 Br2 N O2 | SMILES: | [NH3+][CH]1CCc2c(Br)ccc(Br)c2CC1(O)O | InChi: | InChI=1S/C11H13Br2NO2/c12-8-2-3-9(13)7-5-11(15,16)10(14)4-1-6(7)8/h2-3,10,15-16H,1,4-5,14H2/p+1/t10-/m0/s1 | Definition date: | 2019-07-22 | Last modified: | 2020-03-20 | Release date: | 2020-03-25 | Identifier: | [(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
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![GZ0 GZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/GZ0.svg) | GZ0 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S},5~{S},6~{S})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | Formula: | C17 H27 N5 O17 P2 | SMILES: | OP(OC1OC(C(C(C1O)O)O)C(O)CO)(=O)OP(=O)(O)OCC2C(O)C(C(O2)n3cnc4c3NC(=NC4=O)N)O | InChi: | InChI=1S/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5+,7+,8-,9-,10+,11-,12-,15+,16+/m0/s1 | Definition date: | 2020-01-31 | Last modified: | 2020-03-20 | Release date: | 2020-03-25 | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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![NWT NWT](https://data.pdbj.org/pdbjplus/data/cc/svg/NWT.svg) | NWT | Name: | N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide | Formula: | C39 H52 F2 N6 O8 | SMILES: | CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O | InChi: | InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t23-,24+,28+,29+,30+,31+,32+/m1/s1 | Definition date: | 2020-01-06 | Last modified: | 2020-03-20 | Release date: | 2020-03-25 |
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![RM9 RM9](https://data.pdbj.org/pdbjplus/data/cc/svg/RM9.svg) | RM9 | Name: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid | Formula: | C10 H8 B F O4 | SMILES: | B1(Oc3c(C(O)=O)c(ccc3C2C1C2)F)O | InChi: | InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1 | Definition date: | 2019-11-24 | Last modified: | 2020-03-20 | Release date: | 2020-03-25 | Identifier: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid |
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![RL4 RL4](https://data.pdbj.org/pdbjplus/data/cc/svg/RL4.svg) | RL4 | Name: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol | Formula: | C29 H33 N O2 | SMILES: | CC1CCCN1CCOc2ccc(cc2)C4c3ccc(O)cc3CCC4c5ccccc5 | InChi: | InChI=1S/C29H33NO2/c1-21-6-5-17-30(21)18-19-32-26-13-9-23(10-14-26)29-27(22-7-3-2-4-8-22)15-11-24-20-25(31)12-16-28(24)29/h2-4,7-10,12-14,16,20-21,27,29,31H,5-6,11,15,17-19H2,1H3/t21-,27-,29+/m1/s1 | Definition date: | 2020-02-13 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol |
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![LMH LMH](https://data.pdbj.org/pdbjplus/data/cc/svg/LMH.svg) | LMH | Name: | glucosyl-dolichol phosphate | Formula: | C31 H55 O9 P | SMILES: | C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15-,25-17-/t26-,27+,28+,29-,30+,31-/m0/s1 | Definition date: | 2019-08-25 | Last modified: | 2020-03-06 | Release date: | 2020-03-11 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{Z},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate |
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![PKS PKS](https://data.pdbj.org/pdbjplus/data/cc/svg/PKS.svg) | PKS | Name: | 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol | Formula: | C24 H35 N O3 | SMILES: | CC(C(O)C(C)=[C@H]C)C=C(C=CCC(=[C@H]Cc1nc(cc(O)c1C)OC)C)C | InChi: | InChI=1S/C24H35NO3/c1-8-18(4)24(27)19(5)14-17(3)11-9-10-16(2)12-13-21-20(6)22(26)15-23(25-21)28-7/h8-9,11-12,14-15,19,24,27H,10,13H2,1-7H3,(H,25,26)/b11-9+,16-12+,17-14+,18-8+/t19-,24+/m1/s1 | Definition date: | 2019-08-15 | Last modified: | 2020-03-06 | Release date: | 2020-03-11 | Identifier: | 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol |
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![NG8 NG8](https://data.pdbj.org/pdbjplus/data/cc/svg/NG8.svg) | NG8 | Name: | 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide | Formula: | C16 H21 B F2 N3 O | SMILES: | CCNC(=O)CCc1ccc2Cc3n(c(C)cc3C)[B-](F)(F)n12 | InChi: | InChI=1S/C16H21BF2N3O/c1-4-20-16(23)8-7-13-5-6-14-10-15-11(2)9-12(3)21(15)17(18,19)22(13)14/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,23)/q-1 | Definition date: | 2019-11-29 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide |
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![M1H M1H](https://data.pdbj.org/pdbjplus/data/cc/svg/M1H.svg) | M1H | Name: | ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine | Formula: | C10 H14 N2 | SMILES: | CNc1ccnc2CCCCc12 | InChi: | InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12) | Definition date: | 2019-10-02 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine |
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![M1Q M1Q](https://data.pdbj.org/pdbjplus/data/cc/svg/M1Q.svg) | M1Q | Name: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione | Formula: | C8 H10 N2 O2 | SMILES: | O=C1NC(=O)[CH]2CCCCC2=N1 | InChi: | InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1 | Definition date: | 2019-10-02 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione |
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![M5N M5N](https://data.pdbj.org/pdbjplus/data/cc/svg/M5N.svg) | M5N | Name: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one | Formula: | C11 H16 N2 O | SMILES: | CC(C)C1=NC(=O)N=C2CCCC[CH]12 | InChi: | InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1 | Definition date: | 2019-10-03 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one |
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