![VMC VMC](https://data.pdbj.org/pdbjplus/data/cc/svg/VMC.svg) | VMC | Name: | 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol | Formula: | C23 H27 N3 O2 | SMILES: | Oc1c(OC)cc(cc1)c2n(cnc2c3ccccc3)CCC4N(CCC4)C | InChi: | InChI=1S/C23H27N3O2/c1-25-13-6-9-19(25)12-14-26-16-24-22(17-7-4-3-5-8-17)23(26)18-10-11-20(27)21(15-18)28-2/h3-5,7-8,10-11,15-16,19,27H,6,9,12-14H2,1-2H3/t19-/m0/s1 | Definition date: | 2019-09-06 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol |
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![JC8 JC8](https://data.pdbj.org/pdbjplus/data/cc/svg/JC8.svg) | JC8 | Name: | 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide | Formula: | C17 H17 F N4 O | SMILES: | NC(=O)c1ccc(nc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4 | InChi: | InChI=1S/C17H17FN4O/c18-16-13(14-3-1-9(7-20-14)17(19)23)5-10(8-21-16)12-6-11-2-4-15(12)22-11/h1,3,5,7-8,11-12,15,22H,2,4,6H2,(H2,19,23)/t11-,12+,15+/m0/s1 | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide |
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![JCE JCE](https://data.pdbj.org/pdbjplus/data/cc/svg/JCE.svg) | JCE | Name: | 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine | Formula: | C17 H15 N5 | SMILES: | Nc1cc([nH]n1)c2ccc3ccn(Cc4ccccn4)c3c2 | InChi: | InChI=1S/C17H15N5/c18-17-10-15(20-21-17)13-5-4-12-6-8-22(16(12)9-13)11-14-3-1-2-7-19-14/h1-10H,11H2,(H3,18,20,21) | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine |
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![JCK JCK](https://data.pdbj.org/pdbjplus/data/cc/svg/JCK.svg) | JCK | Name: | 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | Formula: | C24 H24 N6 | SMILES: | Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2)c1C#N | InChi: | InChI=1S/C24H24N6/c25-14-21-23(27-28-24(21)26)20-8-7-19-9-12-30(22(19)13-20)16-18-5-3-17(4-6-18)15-29-10-1-2-11-29/h3-9,12-13H,1-2,10-11,15-16H2,(H3,26,27,28) | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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![JCW JCW](https://data.pdbj.org/pdbjplus/data/cc/svg/JCW.svg) | JCW | Name: | 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide | Formula: | C17 H17 F N4 O | SMILES: | NC(=O)c1ccnc(c1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4 | InChi: | InChI=1S/C17H17FN4O/c18-16-13(15-6-9(17(19)23)3-4-20-15)5-10(8-21-16)12-7-11-1-2-14(12)22-11/h3-6,8,11-12,14,22H,1-2,7H2,(H2,19,23)/t11-,12+,14+/m0/s1 | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide |
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![JCZ JCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/JCZ.svg) | JCZ | Name: | 3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine | Formula: | C11 H10 N4 | SMILES: | Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2 | InChi: | InChI=1S/C11H10N4/c12-11-6-10(14-15-11)8-2-1-7-3-4-13-9(7)5-8/h1-6,13H,(H3,12,14,15) | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine |
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![JD2 JD2](https://data.pdbj.org/pdbjplus/data/cc/svg/JD2.svg) | JD2 | Name: | 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | Formula: | C18 H14 N6 | SMILES: | Nc1[nH]nc(c2ccc3ccn(Cc4ccccn4)c3c2)c1C#N | InChi: | InChI=1S/C18H14N6/c19-10-15-17(22-23-18(15)20)13-5-4-12-6-8-24(16(12)9-13)11-14-3-1-2-7-21-14/h1-9H,11H2,(H3,20,22,23) | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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![JDH JDH](https://data.pdbj.org/pdbjplus/data/cc/svg/JDH.svg) | JDH | Name: | 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | Formula: | C25 H27 N7 | SMILES: | CN1CCN(CC1)Cc2ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2 | InChi: | InChI=1S/C25H27N7/c1-30-10-12-31(13-11-30)16-18-2-4-19(5-3-18)17-32-9-8-20-6-7-21(14-23(20)32)24-22(15-26)25(27)29-28-24/h2-9,14H,10-13,16-17H2,1H3,(H3,27,28,29) | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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![JEQ JEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/JEQ.svg) | JEQ | Name: | 5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | Formula: | C25 H26 N6 | SMILES: | Nc1[nH]nc(c2ccc3ccn(C[CH]4CCCN(C4)Cc5ccccc5)c3c2)c1C#N | InChi: | InChI=1S/C25H26N6/c26-14-22-24(28-29-25(22)27)21-9-8-20-10-12-31(23(20)13-21)17-19-7-4-11-30(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,8-10,12-13,19H,4,7,11,15-17H2,(H3,27,28,29)/t19-/m1/s1 | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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![JFH JFH](https://data.pdbj.org/pdbjplus/data/cc/svg/JFH.svg) | JFH | Name: | 3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine | Formula: | C23 H25 N5 | SMILES: | Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2 | InChi: | InChI=1S/C23H25N5/c24-23-14-21(25-26-23)20-8-7-19-9-12-28(22(19)13-20)16-18-5-3-17(4-6-18)15-27-10-1-2-11-27/h3-9,12-14H,1-2,10-11,15-16H2,(H3,24,25,26) | Definition date: | 2019-02-19 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
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![JGH JGH](https://data.pdbj.org/pdbjplus/data/cc/svg/JGH.svg) | JGH | Name: | 1:2 Ce-substituted Keggin | Formula: | Ce H2 O78 P2 W22 | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23[O]45[W]678O[W]9%10O[W]1%11%12O[W]4%13(O6)O[W]%14%15(O%11)O[W]%16%17%18O[W]5(O7)(O%13)O[W]%19%20(O[W]%21(O9)(O8)O[W]%22(O%19)(O[W](O%14)(O%16)(O[Ce]%23%24%25(O%10)(O[W]%26%27O[W]%28%29(O[PH]%30%31[O]%32%33[W]%34%35(O%26)O[W]%36%37(O%27)O[W]%38%39%40O[W]%32%41(O%34)O[W]%33(O%28)(O%35)O[W]%42%43(O%29)O[W]%44(O%41)(O%38)O[W](O%42)(O[W](O%36)(O%39)(O%23)[O]%30%37%40)(O%24)[O]%31%43%44)O%25)(O%12)O%22)[O]2%15%17)[O]3%20%21)O%18 | InChi: | InChI=1S/Ce.2HO4P.22H2O.48O.22W/c | Definition date: | 2019-02-21 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 |
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![JGK JGK](https://data.pdbj.org/pdbjplus/data/cc/svg/JGK.svg) | JGK | Name: | ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | Formula: | C25 H23 N3 O5 | SMILES: | CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c(C)onc4N)C(C)=O | InChi: | InChI=1S/C25H23N3O5/c1-4-31-21-8-7-16(14(2)29)13-20(21)17-10-18(23-15(3)33-28-24(23)26)12-19(11-17)27-25(30)22-6-5-9-32-22/h5-13H,4H2,1-3H3,(H2,26,28)(H,27,30) | Definition date: | 2019-02-22 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide |
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![JH8 JH8](https://data.pdbj.org/pdbjplus/data/cc/svg/JH8.svg) | JH8 | Name: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide | Formula: | C22 H20 N4 O | SMILES: | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccccc34 | InChi: | InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3 | Definition date: | 2019-02-25 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide |
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![JHK JHK](https://data.pdbj.org/pdbjplus/data/cc/svg/JHK.svg) | JHK | Name: | ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide | Formula: | C21 H19 N5 O | SMILES: | CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccncc34 | InChi: | InChI=1S/C21H19N5O/c1-25(2)21(27)14-26-13-18(10-24-26)15-3-5-16(6-4-15)19-12-23-9-17-7-8-22-11-20(17)19/h3-13H,14H2,1-2H3 | Definition date: | 2019-02-26 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide |
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![JHW JHW](https://data.pdbj.org/pdbjplus/data/cc/svg/JHW.svg) | JHW | Name: | 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one | Formula: | C17 H12 N4 O S | SMILES: | O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5 | InChi: | InChI=1S/C17H12N4OS/c22-17-14-12(19-9-21(17)11-3-4-11)5-6-13-15(14)23-16(20-13)10-2-1-7-18-8-10/h1-2,5-9,11H,3-4H2 | Definition date: | 2019-02-27 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one |
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![JJ2 JJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/JJ2.svg) | JJ2 | Name: | 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one | Formula: | C18 H19 Cl2 N3 O | SMILES: | CN(C)CCN1C=Cc2n(Cc3ccc(Cl)c(Cl)c3)ccc2C1=O | InChi: | InChI=1S/C18H19Cl2N3O/c1-21(2)9-10-22-8-6-17-14(18(22)24)5-7-23(17)12-13-3-4-15(19)16(20)11-13/h3-8,11H,9-10,12H2,1-2H3 | Definition date: | 2019-02-27 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one |
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![JJ5 JJ5](https://data.pdbj.org/pdbjplus/data/cc/svg/JJ5.svg) | JJ5 | Name: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one | Formula: | C14 H10 Cl2 N2 O | SMILES: | Clc1ccc(Cn2ccc3C(=O)N=CCc23)cc1Cl | InChi: | InChI=1S/C14H10Cl2N2O/c15-11-2-1-9(7-12(11)16)8-18-6-4-10-13(18)3-5-17-14(10)19/h1-2,4-7H,3,8H2 | Definition date: | 2019-02-27 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one |
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![JJ8 JJ8](https://data.pdbj.org/pdbjplus/data/cc/svg/JJ8.svg) | JJ8 | Name: | 1-[(3,4-dichlorophenyl)methyl]imidazole | Formula: | C10 H8 Cl2 N2 | SMILES: | Clc1ccc(Cn2ccnc2)cc1Cl | InChi: | InChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2 | Definition date: | 2019-02-27 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 1-[(3,4-dichlorophenyl)methyl]imidazole |
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![R0D R0D](https://data.pdbj.org/pdbjplus/data/cc/svg/R0D.svg) | R0D | Name: | (5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone | Formula: | C21 H19 Cl N2 O3 | SMILES: | C3CC2(c1cc(Cl)ccc1N=C2)CCN3C(C5COc4ccccc4O5)=O | InChi: | InChI=1S/C21H19ClN2O3/c22-14-5-6-16-15(11-14)21(13-23-16)7-9-24(10-8-21)20(25)19-12-26-17-3-1-2-4-18(17)27-19/h1-6,11,13,19H,7-10,12H2/t19-/m1/s1 | Definition date: | 2020-01-21 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | (5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone |
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![R0G R0G](https://data.pdbj.org/pdbjplus/data/cc/svg/R0G.svg) | R0G | Name: | 4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile | Formula: | C21 H23 N3 O | SMILES: | c21c(cccc1)C(C(C2)N3CCCC(C3)N)Oc4ccc(cc4)C#N | InChi: | InChI=1S/C21H23N3O/c22-13-15-7-9-18(10-8-15)25-21-19-6-2-1-4-16(19)12-20(21)24-11-3-5-17(23)14-24/h1-2,4,6-10,17,20-21H,3,5,11-12,14,23H2/t17-,20-,21-/m1/s1 | Definition date: | 2020-01-21 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile |
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![R0M R0M](https://data.pdbj.org/pdbjplus/data/cc/svg/R0M.svg) | R0M | Name: | (2E,4E)-hepta-2,4-dienoic acid | Formula: | C7 H10 O2 | SMILES: | [C@H](C=CCC)=[C@H]C(=O)O | InChi: | InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+ | Definition date: | 2020-01-21 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | (2E,4E)-hepta-2,4-dienoic acid |
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![MI9 MI9](https://data.pdbj.org/pdbjplus/data/cc/svg/MI9.svg) | MI9 | Name: | Oxomolybdenum Mesoporphyrin IX | Formula: | C34 H36 Mo N4 O5 | SMILES: | CCC1=C(C)C2=NC1=Cc3n4c(C=C5N=C(C=C6[N](C(=C2)C(=C6CCC(O)=O)C)[Mo]4=O)C(=C5C)CCC(O)=O)c(CC)c3C | InChi: | InChI=1S/C34H38N4O4.Mo.O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Definition date: | 2019-03-12 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 |
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![T2C T2C](https://data.pdbj.org/pdbjplus/data/cc/svg/T2C.svg) | T2C | Name: | (2S)-1,3-thiazolidine-2-carboxylic acid | Formula: | C4 H7 N O2 S | SMILES: | C1(C(O)=O)NCCS1 | InChi: | InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1 | Definition date: | 2019-09-25 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | (2S)-1,3-thiazolidine-2-carboxylic acid |
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![LQN LQN](https://data.pdbj.org/pdbjplus/data/cc/svg/LQN.svg) | LQN | Name: | 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide | Formula: | C20 H14 F3 N O Se | SMILES: | FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[SeH])c2 | InChi: | InChI=1S/C20H14F3NOSe/c21-20(22,23)15-10-8-13(9-11-15)14-4-3-5-16(12-14)24-19(25)17-6-1-2-7-18(17)26/h1-12,26H,(H,24,25) | Definition date: | 2019-09-02 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide |
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![LQW LQW](https://data.pdbj.org/pdbjplus/data/cc/svg/LQW.svg) | LQW | Name: | ~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide | Formula: | C14 H12 Cl N O Se | SMILES: | Clc1ccc(CNC(=O)c2ccccc2[SeH])cc1 | InChi: | InChI=1S/C14H12ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18/h1-8,18H,9H2,(H,16,17) | Definition date: | 2019-09-02 | Last modified: | 2020-03-13 | Release date: | 2020-03-18 | Identifier: | ~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide |
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