![K0H K0H](https://data.pdbj.org/pdbjplus/data/cc/svg/K0H.svg) | K0H | Name: | methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate | Formula: | C36 H44 Cl N5 O7 | SMILES: | CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1CC(=O)OC)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34 | InChi: | InChI=1S/C36H44ClN5O7/c1-4-25-11-10-23-15-19-39(31(23)34(47)40(25)21-30(44)49-3)33(46)29-13-12-26-14-17-36(35(48)42(26)29)16-7-18-41(36)32(45)28(38-22(2)43)20-24-8-5-6-9-27(24)37/h5-6,8-11,14,17,23,25-26,28-29,31H,4,7,12-13,15-16,18-21H2,1-3H3,(H,38,43)/t23-,25+,26-,28-,29-,31-,36+/m0/s1 | Definition date: | 2019-04-11 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate |
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![K0K K0K](https://data.pdbj.org/pdbjplus/data/cc/svg/K0K.svg) | K0K | Name: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid | Formula: | C35 H42 Cl N5 O7 | SMILES: | CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1CC(O)=O)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34 | InChi: | InChI=1S/C35H42ClN5O7/c1-3-24-10-9-22-14-18-38(30(22)33(47)39(24)20-29(43)44)32(46)28-12-11-25-13-16-35(34(48)41(25)28)15-6-17-40(35)31(45)27(37-21(2)42)19-23-7-4-5-8-26(23)36/h4-5,7-10,13,16,22,24-25,27-28,30H,3,6,11-12,14-15,17-20H2,1-2H3,(H,37,42)(H,43,44)/t22-,24+,25-,27-,28-,30-,35+/m0/s1 | Definition date: | 2019-04-11 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid |
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![K1N K1N](https://data.pdbj.org/pdbjplus/data/cc/svg/K1N.svg) | K1N | Name: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid | Formula: | C35 H40 Cl N5 O7 | SMILES: | CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O | InChi: | InChI=1S/C35H40ClN5O7/c1-20(42)37-26(19-22-5-2-3-6-25(22)36)30(43)39-17-4-15-35(39)16-13-24-9-11-27(41(24)34(35)48)31(44)38-18-14-21-7-8-23-10-12-28(33(46)47)40(23)32(45)29(21)38/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H,37,42)(H,46,47)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1 | Definition date: | 2019-04-16 | Last modified: | 2020-05-08 | Release date: | 2020-05-13 | Identifier: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid |
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![O6E O6E](https://data.pdbj.org/pdbjplus/data/cc/svg/O6E.svg) | O6E | Name: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C33 H38 N4 O6 | SMILES: | CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,13-15,19-20,35H,2,7,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 | Definition date: | 2020-02-13 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-[2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![QFY QFY](https://data.pdbj.org/pdbjplus/data/cc/svg/QFY.svg) | QFY | Name: | {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Formula: | C24 H32 Fe N6 O2 S | SMILES: | C12NC(=O)NC1CSC2CCCCC(NCC[N+]43Cc6[n+]([Fe]3[n+]5c(C4)cccc5)cccc6)=O | InChi: | InChI=1S/C24H32N6O2S.Fe/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19 | Definition date: | 2019-10-25 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) |
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![QG1 QG1](https://data.pdbj.org/pdbjplus/data/cc/svg/QG1.svg) | QG1 | Name: | {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) | Formula: | C24 H32 Fe N6 O2 S | SMILES: | C12NC(=O)NC1CSC2CCCCC(NCC[N+]5(Cc3ncccc3)Cc4cccc[n+]4[Fe]5)=O | InChi: | InChI=1S/C24H32N6O2S.Fe/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19 | Definition date: | 2019-10-25 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+) |
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![QG4 QG4](https://data.pdbj.org/pdbjplus/data/cc/svg/QG4.svg) | QG4 | Name: | {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) | Formula: | C24 H33 Fe N9 O2 S | SMILES: | O=C1NC2C(N1)C(SC2)CCCCC(NCC[N+]43Cc6[n+]([Fe]3([n+]5c(C4)cccc5)N=[N+]=N)cccc6)=O | InChi: | InChI=1S/C24H32N6O2S.Fe.HN3/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19 | Definition date: | 2019-10-25 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) |
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![RFG RFG](https://data.pdbj.org/pdbjplus/data/cc/svg/RFG.svg) | RFG | Name: | 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide | Formula: | C19 H19 N9 O2 | SMILES: | C(Nc2nc(c1nncn1C(C)C)ccc2)(c3cn(nc3OC)c4cnccn4)=O | InChi: | InChI=1S/C19H19N9O2/c1-12(2)27-11-22-25-17(27)14-5-4-6-15(23-14)24-18(29)13-10-28(26-19(13)30-3)16-9-20-7-8-21-16/h4-12H,1-3H3,(H,23,24,29) | Definition date: | 2020-02-11 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide |
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![HWQ HWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/HWQ.svg) | HWQ | Name: | 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile | Formula: | C16 H22 N6 S | SMILES: | CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3 | InChi: | InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3 | Definition date: | 2019-01-02 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile |
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![HWT HWT](https://data.pdbj.org/pdbjplus/data/cc/svg/HWT.svg) | HWT | Name: | 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile | Formula: | C16 H24 N6 S | SMILES: | CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N | InChi: | InChI=1S/C16H24N6S/c1-20(2)9-6-11-22(4)16-18-13-7-12-23-14(13)15(19-16)21(3)10-5-8-17/h7,12H,5-6,9-11H2,1-4H3 | Definition date: | 2019-01-02 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile |
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![HWW HWW](https://data.pdbj.org/pdbjplus/data/cc/svg/HWW.svg) | HWW | Name: | 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile | Formula: | C20 H32 N6 S | SMILES: | CN(C)CCCN(C)c1nc2cc(sc2c(n1)N(C)CCC#N)C(C)(C)C | InChi: | InChI=1S/C20H32N6S/c1-20(2,3)16-14-15-17(27-16)18(25(6)12-8-10-21)23-19(22-15)26(7)13-9-11-24(4)5/h14H,8-9,11-13H2,1-7H3 | Definition date: | 2019-01-02 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile |
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![HWZ HWZ](https://data.pdbj.org/pdbjplus/data/cc/svg/HWZ.svg) | HWZ | Name: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile | Formula: | C19 H26 N6 | SMILES: | CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N | InChi: | InChI=1S/C19H26N6/c1-23-13-9-15(10-14-23)25(3)19-21-17-8-5-4-7-16(17)18(22-19)24(2)12-6-11-20/h4-5,7-8,15H,6,9-10,12-14H2,1-3H3 | Definition date: | 2019-01-02 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile |
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![HXE HXE](https://data.pdbj.org/pdbjplus/data/cc/svg/HXE.svg) | HXE | Name: | 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile | Formula: | C18 H26 N6 S | SMILES: | CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N | InChi: | InChI=1S/C18H26N6S/c1-4-24-11-6-14(7-12-24)23(3)18-20-15-8-13-25-16(15)17(21-18)22(2)10-5-9-19/h8,13-14H,4-7,10-12H2,1-3H3 | Definition date: | 2019-01-02 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile |
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![HXN HXN](https://data.pdbj.org/pdbjplus/data/cc/svg/HXN.svg) | HXN | Name: | 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile | Formula: | C18 H25 Br N6 | SMILES: | CN(C)CCCN(C)c1nc2ccc(Br)cc2c(n1)N(C)CCC#N | InChi: | InChI=1S/C18H25BrN6/c1-23(2)10-6-12-25(4)18-21-16-8-7-14(19)13-15(16)17(22-18)24(3)11-5-9-20/h7-8,13H,5-6,10-12H2,1-4H3 | Definition date: | 2019-01-02 | Last modified: | 2020-05-01 | Release date: | 2020-05-06 | Identifier: | 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile |
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![R4D R4D](https://data.pdbj.org/pdbjplus/data/cc/svg/R4D.svg) | R4D | Name: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one | Formula: | C24 H27 N3 O3 | SMILES: | CC(C(=O)N3CCC(O)(CN2C=Nc1c(cccc1)C2=O)CC3)Cc4ccccc4 | InChi: | InChI=1S/C24H27N3O3/c1-18(15-19-7-3-2-4-8-19)22(28)26-13-11-24(30,12-14-26)16-27-17-25-21-10-6-5-9-20(21)23(27)29/h2-10,17-18,30H,11-16H2,1H3/t18-/m1/s1 | Definition date: | 2020-01-29 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one |
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![R4J R4J](https://data.pdbj.org/pdbjplus/data/cc/svg/R4J.svg) | R4J | Name: | [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | Formula: | C23 H23 Cl2 N3 O4 S | SMILES: | c4(Cl)cc(c1ccnc2cc(C(CO)(CCl)O)sc12)c3OC(Cc3c4)C(N5CCNCC5)=O | InChi: | InChI=1S/C23H23Cl2N3O4S/c24-11-23(31,12-29)19-10-17-21(33-19)15(1-2-27-17)16-9-14(25)7-13-8-18(32-20(13)16)22(30)28-5-3-26-4-6-28/h1-2,7,9-10,18,26,29,31H,3-6,8,11-12H2/t18-,23+/m1/s1 | Definition date: | 2020-01-29 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone |
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![OSD OSD](https://data.pdbj.org/pdbjplus/data/cc/svg/OSD.svg) | OSD | Name: | 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine | Formula: | C20 H23 N3 O | SMILES: | c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN | InChi: | InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine |
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![LT7 LT7](https://data.pdbj.org/pdbjplus/data/cc/svg/LT7.svg) | LT7 | Name: | ~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine | Formula: | C13 H17 N3 O | SMILES: | CC(C)NCc1onc(n1)c2ccc(C)cc2 | InChi: | InChI=1S/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3 | Definition date: | 2019-03-13 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | ~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine |
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![MJ4 MJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/MJ4.svg) | MJ4 | Name: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol | Formula: | C9 H15 N O S | SMILES: | N(CC(C)O)Cc1ccc(s1)C | InChi: | InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1 | Definition date: | 2019-04-04 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol |
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![T91 T91](https://data.pdbj.org/pdbjplus/data/cc/svg/T91.svg) | T91 | Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide | Formula: | C14 H19 N3 O | SMILES: | n1c(CCNC(C(C)(C)C)=O)nc2c1cccc2 | InChi: | InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17) | Definition date: | 2020-03-16 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide |
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![S5A S5A](https://data.pdbj.org/pdbjplus/data/cc/svg/S5A.svg) | S5A | Name: | 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid | Formula: | C15 H14 O3 | SMILES: | OC(=O)CCc1ccc(cc1)c2ccc(O)cc2 | InChi: | InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18) | Definition date: | 2020-03-04 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid |
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![S7A S7A](https://data.pdbj.org/pdbjplus/data/cc/svg/S7A.svg) | S7A | Name: | 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one | Formula: | C7 H11 F3 N2 O | SMILES: | FC(F)(F)CC(=O)N1CCNCC1 | InChi: | InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2 | Definition date: | 2020-03-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one |
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![S9V S9V](https://data.pdbj.org/pdbjplus/data/cc/svg/S9V.svg) | S9V | Name: | 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea | Formula: | C11 H15 Cl N2 O2 | SMILES: | CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1 | InChi: | InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16) | Definition date: | 2020-03-06 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea |
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![S8V S8V](https://data.pdbj.org/pdbjplus/data/cc/svg/S8V.svg) | S8V | Name: | ~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine | Formula: | C8 H15 N O | SMILES: | C1C[CH](CNC2CC2)CO1 | InChi: | InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1 | Definition date: | 2020-03-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | ~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine |
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![QP1 QP1](https://data.pdbj.org/pdbjplus/data/cc/svg/QP1.svg) | QP1 | Name: | N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide | Formula: | C27 H28 F N5 O3 S | SMILES: | c1c(ccc(c1)F)c4c(c3cc(Nc2cc(ccc2OC)NC(CC)=O)ncc3)nc(SCCOC)n4 | InChi: | InChI=1S/C27H28FN5O3S/c1-4-24(34)30-20-9-10-22(36-3)21(16-20)31-23-15-18(11-12-29-23)26-25(17-5-7-19(28)8-6-17)32-27(33-26)37-14-13-35-2/h5-12,15-16H,4,13-14H2,1-3H3,(H,29,31)(H,30,34)(H,32,33) | Definition date: | 2019-12-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide |
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