![8J3 8J3](https://data.pdbj.org/pdbjplus/data/cc/svg/8J3.svg) | 8J3 | Name: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6R)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | Formula: | C35 H50 O3 | SMILES: | C[CH](CC#C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C[CH](O)C6=C | InChi: | InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24-,25+,26-,29-,30-,31+,32+,33+,34-,35-/m1/s1 | Definition date: | 2017-07-13 | Last modified: | 2018-07-20 | Release date: | 2018-07-25 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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![8K9 8K9](https://data.pdbj.org/pdbjplus/data/cc/svg/8K9.svg) | 8K9 | Name: | (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one | Formula: | C30 H44 N2 O3 | SMILES: | CCC(C)(C)c1ccc(OC[CH](O)CN2C[CH]3C[CH](C2)C4=CC=CC(=O)N4C3)c(c1)C(C)(C)CC | InChi: | InChI=1S/C30H44N2O3/c1-7-29(3,4)23-12-13-27(25(15-23)30(5,6)8-2)35-20-24(33)19-31-16-21-14-22(18-31)26-10-9-11-28(34)32(26)17-21/h9-13,15,21-22,24,33H,7-8,14,16-20H2,1-6H3/t21-,22+,24+/m0/s1 | Definition date: | 2017-07-24 | Last modified: | 2018-07-20 | Release date: | 2018-07-25 | Identifier: | (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one |
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![8LU 8LU](https://data.pdbj.org/pdbjplus/data/cc/svg/8LU.svg) | 8LU | Name: | (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide | Formula: | C28 H31 Cl F2 N6 O4 | SMILES: | FCC(=O)N1CCC[CH]1C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN5CCOCC5 | InChi: | InChI=1S/C28H31ClF2N6O4/c29-20-13-18(4-5-21(20)31)34-27-19-14-23(35-28(39)24-3-1-7-37(24)26(38)16-30)25(15-22(19)32-17-33-27)41-10-2-6-36-8-11-40-12-9-36/h4-5,13-15,17,24H,1-3,6-12,16H2,(H,35,39)(H,32,33,34)/t24-/m1/s1 | Definition date: | 2017-08-02 | Last modified: | 2018-07-20 | Release date: | 2018-07-25 | Identifier: | (2~{R})-~{N}-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide |
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![VA6 VA6](https://data.pdbj.org/pdbjplus/data/cc/svg/VA6.svg) | VA6 | Name: | 9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine | Formula: | C11 H16 F2 N5 O11 P3 | SMILES: | n1c(c2c(nc1)n(cn2)C3CC(O)C(COP(O)(=O)OP(C(P(O)(O)=O)(F)F)(O)=O)O3)N | InChi: | InChI=1S/C11H16F2N5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6+,7-/m0/s1 | Definition date: | 2018-03-22 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine |
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![FZP FZP](https://data.pdbj.org/pdbjplus/data/cc/svg/FZP.svg) | FZP | Name: | (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate | Formula: | C25 H24 F N7 O3 | SMILES: | c1(ccn(n1)C)Nc4nc(N(C(=O)OCc2ccc(F)cc2)c3cccc(c3)NC(CC)=O)ccn4 | InChi: | InChI=1S/C25H24FN7O3/c1-3-23(34)28-19-5-4-6-20(15-19)33(25(35)36-16-17-7-9-18(26)10-8-17)22-11-13-27-24(30-22)29-21-12-14-32(2)31-21/h4-15H,3,16H2,1-2H3,(H,28,34)(H,27,29,30,31) | Definition date: | 2018-05-01 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate |
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![G2D G2D](https://data.pdbj.org/pdbjplus/data/cc/svg/G2D.svg) | G2D | Name: | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide | Formula: | C24 H25 N3 O2 | SMILES: | c5c(c(cc(C(NC4c3c(ccc(c2cn1c(CCC1)n2)c3)CC4)=O)c5)OC)C | InChi: | InChI=1S/C24H25N3O2/c1-15-5-6-18(13-22(15)29-2)24(28)26-20-10-9-16-7-8-17(12-19(16)20)21-14-27-11-3-4-23(27)25-21/h5-8,12-14,20H,3-4,9-11H2,1-2H3,(H,26,28)/t20-/m1/s1 | Definition date: | 2018-05-02 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide |
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![G4F G4F](https://data.pdbj.org/pdbjplus/data/cc/svg/G4F.svg) | G4F | Name: | [[(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] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | Formula: | C16 H24 F N5 O15 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](F)[CH](O)[CH]4O)[CH](O)[CH]3O | InChi: | InChI=1S/C16H24FN5O15P2/c17-6-4(1-23)35-15(11(27)9(6)25)36-39(31,32)37-38(29,30)33-2-5-8(24)10(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)28/h3-6,8-11,14-15,23-27H,1-2H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1 | Definition date: | 2018-06-06 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | [[(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] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate |
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![9K0 9K0](https://data.pdbj.org/pdbjplus/data/cc/svg/9K0.svg) | 9K0 | Name: | (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one | Formula: | C26 H38 O3 | SMILES: | O=C(C=C)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C | InChi: | InChI=1S/C26H38O3/c1-5-21(27)11-8-17(2)22-12-13-23-20(7-6-14-26(22,23)4)10-9-19-15-24(28)18(3)25(29)16-19/h5,9-10,17,22-25,28-29H,1,3,6-8,11-16H2,2,4H3/b20-10+/t17-,22-,23+,24-,25-,26-/m1/s1 | Definition date: | 2018-05-17 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | (6R)-6-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]hept-1-en-3-one |
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![9KR 9KR](https://data.pdbj.org/pdbjplus/data/cc/svg/9KR.svg) | 9KR | Name: | (E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one | Formula: | C27 H40 O3 | SMILES: | O=C(C=CC)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C | InChi: | InChI=1S/C27H40O3/c1-5-7-22(28)12-9-18(2)23-13-14-24-21(8-6-15-27(23,24)4)11-10-20-16-25(29)19(3)26(30)17-20/h5,7,10-11,18,23-26,29-30H,3,6,8-9,12-17H2,1-2,4H3/b7-5+,21-11+/t18-,23-,24+,25-,26-,27-/m1/s1 | Definition date: | 2018-05-22 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | (2E,7R)-7-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-2-en-4-one |
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![9N9 9N9](https://data.pdbj.org/pdbjplus/data/cc/svg/9N9.svg) | 9N9 | Name: | (E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one | Formula: | C27 H36 O3 | SMILES: | C2(C1CCC(C(C(=O)C#C[C@H]=CC)C)C1(CCC2)C)=C/C=C3CC(/C(C(C3)O)=C)O | InChi: | InChI=1S/C27H36O3/c1-5-6-7-10-24(28)18(2)22-13-14-23-21(9-8-15-27(22,23)4)12-11-20-16-25(29)19(3)26(30)17-20/h5-6,11-12,18,22-23,25-26,29-30H,3,8-9,13-17H2,1-2,4H3/b6-5+,21-12+/t18-,22+,23-,25+,26+,27+/m0/s1 | Definition date: | 2018-06-05 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | (2S,6E)-2-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-6-en-4-yn-3-one |
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![A5J A5J](https://data.pdbj.org/pdbjplus/data/cc/svg/A5J.svg) | A5J | Name: | (1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol | Formula: | C10 H18 N3 O15 P3 | SMILES: | N(c1c(nc(c(c1)C2CC(O)C(O2)COP(=O)(O)OP(O)(=O)OP(=O)(O)O)O)N)(O)O | InChi: | InChI=1S/C10H18N3O15P3/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(26-7)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1,6-8,14,16-17H,2-3H2,(H,21,22)(H,23,24)(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1 | Definition date: | 2017-07-10 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | (1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol |
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![A81 A81](https://data.pdbj.org/pdbjplus/data/cc/svg/A81.svg) | A81 | Name: | 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one) | Formula: | C15 H7 Br2 N9 O4 | SMILES: | C2=NC1=C(C(NN1C=C2c5c([N+]([O-])=O)c(C=3C=NC=4N(C=3)NC(C=4Br)=O)nn5)=O)Br | InChi: | InChI=1S/C15H7Br2N9O4/c16-7-12-18-1-5(3-24(12)22-14(7)27)9-11(26(29)30)10(21-20-9)6-2-19-13-8(17)15(28)23-25(13)4-6/h1-4H,(H,20,21)(H,22,27)(H,23,28) | Definition date: | 2017-07-11 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one) |
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![C9T C9T](https://data.pdbj.org/pdbjplus/data/cc/svg/C9T.svg) | C9T | Name: | (2~{R})-2-methyloctanoic acid | Formula: | C9 H18 O2 | SMILES: | CCCCCC[CH](C)C(O)=O | InChi: | InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m1/s1 | Definition date: | 2017-11-23 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | (2~{R})-2-methyloctanoic acid |
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![F7E F7E](https://data.pdbj.org/pdbjplus/data/cc/svg/F7E.svg) | F7E | Name: | [[(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] [(2~{R},3~{S},4~{R},6~{R})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate | Formula: | C16 H23 N5 O15 P2 | SMILES: | C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)C1=O | InChi: | InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1 | Definition date: | 2018-06-06 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | [[(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] [(2~{R},3~{S},4~{R},6~{R})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate |
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![F9N F9N](https://data.pdbj.org/pdbjplus/data/cc/svg/F9N.svg) | F9N | Name: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide | Formula: | C23 H33 N7 O3 S | SMILES: | CN(C)CCCN[S](=O)(=O)c1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1 | InChi: | InChI=1S/C23H33N7O3S/c1-30(2)13-7-12-26-34(31,32)19-11-6-10-18(14-19)27-23-28-21-20(24-16-25-21)22(29-23)33-15-17-8-4-3-5-9-17/h6,10-11,14,16-17,26H,3-5,7-9,12-13,15H2,1-2H3,(H2,24,25,27,28,29) | Definition date: | 2018-06-15 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide |
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![FCJ FCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FCJ.svg) | FCJ | Name: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine | Formula: | C11 H18 N5 O11 P3 | SMILES: | c3n(C1OC(COP(=O)(O)OP(O)(CP(=O)(O)O)=O)C(C1)O)c2c(c(ncn2)N)n3 | InChi: | InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-30(23,24)27-29(21,22)5-28(18,19)20/h3-4,6-8,17H,1-2,5H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1 | Definition date: | 2018-03-22 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine |
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![EE8 EE8](https://data.pdbj.org/pdbjplus/data/cc/svg/EE8.svg) | EE8 | Name: | ~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide | Formula: | C10 H12 Cl N O2 | SMILES: | CCOc1ccc(NC(C)=O)cc1Cl | InChi: | InChI=1S/C10H12ClNO2/c1-3-14-10-5-4-8(6-9(10)11)12-7(2)13/h4-6H,3H2,1-2H3,(H,12,13) | Definition date: | 2018-03-15 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | ~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide |
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![EEZ EEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/EEZ.svg) | EEZ | Name: | ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide | Formula: | C23 H23 Cl N2 O4 S | SMILES: | CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[CH](C)c3ccccc3)c(Cl)c2)cc1 | InChi: | InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1 | Definition date: | 2018-03-16 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide |
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![EF5 EF5](https://data.pdbj.org/pdbjplus/data/cc/svg/EF5.svg) | EF5 | Name: | 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide | Formula: | C26 H22 N2 O4 S2 | SMILES: | CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(C(=O)c3ccccc3)c(n2)c4ccccc4)cc1 | InChi: | InChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29) | Definition date: | 2018-03-16 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide |
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![GWG GWG](https://data.pdbj.org/pdbjplus/data/cc/svg/GWG.svg) | GWG | Name: | 1-methylindazole-3-carboxamide | Formula: | C9 H9 N3 O | SMILES: | Cn1nc(C(N)=O)c2ccccc12 | InChi: | InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13) | Definition date: | 2018-06-01 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 1-methylindazole-3-carboxamide |
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![GWP GWP](https://data.pdbj.org/pdbjplus/data/cc/svg/GWP.svg) | GWP | Name: | 2-cyclopropyl-1~{H}-imidazole-4-carboxamide | Formula: | C7 H9 N3 O | SMILES: | NC(=O)c1c[nH]c(n1)C2CC2 | InChi: | InChI=1S/C7H9N3O/c8-6(11)5-3-9-7(10-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)(H,9,10) | Definition date: | 2018-06-01 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 2-cyclopropyl-1~{H}-imidazole-4-carboxamide |
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![GWS GWS](https://data.pdbj.org/pdbjplus/data/cc/svg/GWS.svg) | GWS | Name: | 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide | Formula: | C13 H18 N2 O | SMILES: | O=C(CC1CCCCC1)Nc2cccnc2 | InChi: | InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16) | Definition date: | 2018-06-01 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide |
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![GWV GWV](https://data.pdbj.org/pdbjplus/data/cc/svg/GWV.svg) | GWV | Name: | ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline | Formula: | C12 H20 N2 | SMILES: | CC(C)NCc1ccc(cc1)N(C)C | InChi: | InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3 | Definition date: | 2018-06-01 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline |
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![GWY GWY](https://data.pdbj.org/pdbjplus/data/cc/svg/GWY.svg) | GWY | Name: | 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine | Formula: | C10 H14 Cl N3 O | SMILES: | CN(C[CH]1CCOC1)c2ncncc2Cl | InChi: | InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m0/s1 | Definition date: | 2018-06-01 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine |
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![GX4 GX4](https://data.pdbj.org/pdbjplus/data/cc/svg/GX4.svg) | GX4 | Name: | cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone | Formula: | C14 H17 F N2 O | SMILES: | Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CC3 | InChi: | InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2 | Definition date: | 2018-06-01 | Last modified: | 2018-07-13 | Release date: | 2018-07-18 | Identifier: | cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone |
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