![HLJ HLJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HLJ.svg) | HLJ | Name: | N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide | Formula: | C25 H22 Cl2 F N5 O | SMILES: | N(Cc1cc(c(cc1)Cl)Cl)C(=O)c4cc(c2c(C)nc(cc2)F)cc(CN3C(=N)N(C)C=C3)c4 | InChi: | InChI=1S/C25H22Cl2FN5O/c1-15-20(4-6-23(28)31-15)18-9-17(14-33-8-7-32(2)25(33)29)10-19(12-18)24(34)30-13-16-3-5-21(26)22(27)11-16/h3-12,29H,13-14H2,1-2H3,(H,30,34)/b29-25+ | Definition date: | 2018-07-11 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide |
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![HLM HLM](https://data.pdbj.org/pdbjplus/data/cc/svg/HLM.svg) | HLM | Name: | N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide | Formula: | C19 H21 Cl N4 O | SMILES: | c2(cc(C(=O)NC(C)c1cccc(c1)Cl)ccc2)CNC3=NCCN3 | InChi: | InChI=1S/C19H21ClN4O/c1-13(15-5-3-7-17(20)11-15)24-18(25)16-6-2-4-14(10-16)12-23-19-21-8-9-22-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,24,25)(H2,21,22,23)/t13-/m0/s1 | Definition date: | 2018-07-11 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide |
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![HLP HLP](https://data.pdbj.org/pdbjplus/data/cc/svg/HLP.svg) | HLP | Name: | 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid | Formula: | C9 H8 N2 O3 | SMILES: | n1(cncc1)Cc2ccc(C(=O)O)o2 | InChi: | InChI=1S/C9H8N2O3/c12-9(13)8-2-1-7(14-8)5-11-4-3-10-6-11/h1-4,6H,5H2,(H,12,13) | Definition date: | 2018-07-11 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid |
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![HLS HLS](https://data.pdbj.org/pdbjplus/data/cc/svg/HLS.svg) | HLS | Name: | 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide | Formula: | C20 H23 F N4 O3 | SMILES: | N(C(=O)c1cc(c(F)cc1)CNC2=NCCN2)Cc3cc(cc(c3)OC)OC | InChi: | InChI=1S/C20H23FN4O3/c1-27-16-7-13(8-17(10-16)28-2)11-24-19(26)14-3-4-18(21)15(9-14)12-25-20-22-5-6-23-20/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,24,26)(H2,22,23,25) | Definition date: | 2018-07-11 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide |
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![XLN XLN](https://data.pdbj.org/pdbjplus/data/cc/svg/XLN.svg) | XLN | Name: | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide | Formula: | C17 H33 N2 O8 P S | SMILES: | CCC[C@H]=[C@H]S(CCCNC(CCNC(C(C(COP(O)O)(C)C)O)=O)=O)(=O)=O | InChi: | InChI=1S/C17H33N2O8PS/c1-4-5-6-11-29(25,26)12-7-9-18-14(20)8-10-19-16(22)15(21)17(2,3)13-27-28(23)24/h6,11,15,21,23-24H,4-5,7-10,12-13H2,1-3H3,(H,18,20)(H,19,22)/b11-6-/t15-/m0/s1 | Definition date: | 2018-11-16 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide |
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![HV4 HV4](https://data.pdbj.org/pdbjplus/data/cc/svg/HV4.svg) | HV4 | Name: | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | Formula: | C13 H9 N O2 S2 | SMILES: | C(#C)COc1ccc(cc1)C=C2/SC(=S)NC2=O | InChi: | InChI=1S/C13H9NO2S2/c1-2-7-16-10-5-3-9(4-6-10)8-11-12(15)14-13(17)18-11/h1,3-6,8H,7H2,(H,14,15,17)/b11-8- | Definition date: | 2018-07-23 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
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![9KF 9KF](https://data.pdbj.org/pdbjplus/data/cc/svg/9KF.svg) | 9KF | Name: | ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate | Formula: | C18 H18 O3 | SMILES: | CCOC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2 | InChi: | InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3/t13-/m0/s1 | Definition date: | 2018-05-21 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate |
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![9X0 9X0](https://data.pdbj.org/pdbjplus/data/cc/svg/9X0.svg) | 9X0 | Name: | N-(cyclohexylmethyl)-4-oxo-4H-1-benzopyran-2-carboxamide | Formula: | C17 H19 N O3 | SMILES: | c13c(cccc1)C(=O)C=C(C(NCC2CCCCC2)=O)O3 | InChi: | InChI=1S/C17H19NO3/c19-14-10-16(21-15-9-5-4-8-13(14)15)17(20)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,20) | Definition date: | 2018-08-22 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | N-(cyclohexylmethyl)-4-oxo-4H-1-benzopyran-2-carboxamide |
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![9Y5 9Y5](https://data.pdbj.org/pdbjplus/data/cc/svg/9Y5.svg) | 9Y5 | Name: | 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide | Formula: | C16 H12 Cl N3 O2 S | SMILES: | Cc1nn(c2cccc(Cl)c2)c3c1N[S](=O)(=O)c4ccccc34 | InChi: | InChI=1S/C16H12ClN3O2S/c1-10-15-16(20(18-10)12-6-4-5-11(17)9-12)13-7-2-3-8-14(13)23(21,22)19-15/h2-9,19H,1H3 | Definition date: | 2017-07-31 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide |
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![9Y8 9Y8](https://data.pdbj.org/pdbjplus/data/cc/svg/9Y8.svg) | 9Y8 | Name: | 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide | Formula: | C16 H12 F N3 O2 S | SMILES: | CN1c2c([nH]nc2c3ccc(F)cc3)c4ccccc4[S]1(=O)=O | InChi: | InChI=1S/C16H12FN3O2S/c1-20-16-14(10-6-8-11(17)9-7-10)18-19-15(16)12-4-2-3-5-13(12)23(20,21)22/h2-9H,1H3,(H,18,19) | Definition date: | 2017-07-31 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide |
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![BG0 BG0](https://data.pdbj.org/pdbjplus/data/cc/svg/BG0.svg) | BG0 | Name: | (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile | Formula: | C18 H17 Br N4 O3 | SMILES: | COc3cc(C1C(=C(N)Oc2c(N)c(N)ccc12)C#N)cc(c3OC)Br | InChi: | InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3/t14-/m1/s1 | Definition date: | 2019-01-31 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile |
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![A7R A7R](https://data.pdbj.org/pdbjplus/data/cc/svg/A7R.svg) | A7R | Name: | [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C20 H28 N5 O15 P2 | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=NC4=O)N)[CH](O)[CH]2O | InChi: | InChI=1S/C20H27N5O15P2/c21-12-3-5-25(20(31)23-12)19-16(29)14(27)11(39-19)8-37-42(34,35)40-41(32,33)36-7-10-13(26)15(28)18(38-10)24-4-1-2-9(6-24)17(22)30/h1-6,10-11,13-16,18-19,26-29H,7-8H2,(H5-,21,22,23,30,31,32,33,34,35)/p+1/t10-,11-,13+,14+,15+,16+,18-,19-/m0/s1 | Definition date: | 2018-10-12 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | [[(2~{S},3~{S},4~{R},5~{S})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![C9Z C9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/C9Z.svg) | C9Z | Name: | (9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide | Formula: | C35 H34 F N5 O5 | SMILES: | COc1ccc(cc1)c2cc(n3C[CH]4[CH](O)[CH](O)CN4Cc23)C(=O)Nc5cc(ccn5)c6c(onc6c7ccc(F)cc7)C(C)C | InChi: | InChI=1S/C35H34FN5O5/c1-19(2)34-31(32(39-46-34)21-4-8-23(36)9-5-21)22-12-13-37-30(14-22)38-35(44)26-15-25(20-6-10-24(45-3)11-7-20)27-16-40-18-29(42)33(43)28(40)17-41(26)27/h4-15,19,28-29,33,42-43H,16-18H2,1-3H3,(H,37,38,44)/t28-,29+,33-/m0/s1 | Definition date: | 2017-11-23 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | (9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide |
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![CG5 CG5](https://data.pdbj.org/pdbjplus/data/cc/svg/CG5.svg) | CG5 | Name: | (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide | Formula: | C35 H34 F N5 O5 | SMILES: | COc1ccc(cc1)c2cc(n3C[CH]4[CH](O)[CH](O)CN4Cc23)C(=O)Nc5cc(ccn5)c6c(onc6c7ccc(F)cc7)C(C)C | InChi: | InChI=1S/C35H34FN5O5/c1-19(2)34-31(32(39-46-34)21-4-8-23(36)9-5-21)22-12-13-37-30(14-22)38-35(44)26-15-25(20-6-10-24(45-3)11-7-20)27-16-40-18-29(42)33(43)28(40)17-41(26)27/h4-15,19,28-29,33,42-43H,16-18H2,1-3H3,(H,37,38,44)/t28-,29+,33-/m1/s1 | Definition date: | 2017-11-25 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide |
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![F64 F64](https://data.pdbj.org/pdbjplus/data/cc/svg/F64.svg) | F64 | Name: | (2S)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Formula: | C24 H28 Cl N3 O7 S | SMILES: | COc3ncc(COc2ccc(C1=CCN(C(C1)=O)CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc3Cl | InChi: | InChI=1S/C24H28ClN3O7S/c1-24(23(30)27-31,36(3,32)33)9-11-28-10-8-18(13-21(28)29)17-4-6-19(7-5-17)35-15-16-12-20(25)22(34-2)26-14-16/h4-8,12,14,31H,9-11,13,15H2,1-3H3,(H,27,30)/t24-/m0/s1 | Definition date: | 2018-03-01 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | (2S)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide |
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![EM5 EM5](https://data.pdbj.org/pdbjplus/data/cc/svg/EM5.svg) | EM5 | Name: | 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide | Formula: | C15 H22 Cl N3 O4 S | SMILES: | N[S](=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl | InChi: | InChI=1S/C15H22ClN3O4S/c16-12-9-13(19-10-4-2-1-3-5-10)11(15(21)18-6-7-20)8-14(12)24(17,22)23/h8-10,19-20H,1-7H2,(H,18,21)(H2,17,22,23) | Definition date: | 2018-03-29 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide |
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![ENN ENN](https://data.pdbj.org/pdbjplus/data/cc/svg/ENN.svg) | ENN | Name: | ~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide | Formula: | C11 H14 Cl2 N2 O3 S | SMILES: | CCCCNC(=O)c1cc(c(Cl)cc1Cl)[S](N)(=O)=O | InChi: | InChI=1S/C11H14Cl2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18) | Definition date: | 2018-04-02 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | ~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide |
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![EOQ EOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/EOQ.svg) | EOQ | Name: | 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide | Formula: | C16 H18 Cl N3 O4 S | SMILES: | N[S](=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl | InChi: | InChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24) | Definition date: | 2018-04-05 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide |
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![KKY KKY](https://data.pdbj.org/pdbjplus/data/cc/svg/KKY.svg) | KKY | Name: | 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine | Formula: | C21 H28 F N3 | SMILES: | c3(cc(CCC1N(CCC1)C)cc(CCc2cc(cc(N)n2)C)c3)F | InChi: | InChI=1S/C21H28FN3/c1-15-10-19(24-21(23)11-15)7-5-16-12-17(14-18(22)13-16)6-8-20-4-3-9-25(20)2/h10-14,20H,3-9H2,1-2H3,(H2,23,24)/t20-/m1/s1 | Definition date: | 2019-01-02 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine |
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![KL1 KL1](https://data.pdbj.org/pdbjplus/data/cc/svg/KL1.svg) | KL1 | Name: | 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine | Formula: | C19 H25 F2 N3 | SMILES: | c2(CCc1cc(C)cc(n1)N)cc(CCCN(C)C)cc(c2F)F | InChi: | InChI=1S/C19H25F2N3/c1-13-9-16(23-18(22)10-13)7-6-15-11-14(5-4-8-24(2)3)12-17(20)19(15)21/h9-12H,4-8H2,1-3H3,(H2,22,23) | Definition date: | 2019-01-02 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine |
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![KL4 KL4](https://data.pdbj.org/pdbjplus/data/cc/svg/KL4.svg) | KL4 | Name: | 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine | Formula: | C20 H26 F N3 | SMILES: | c1(nc(cc(c1)C)CCc2cc(cc(c2)F)CCC3NCCC3)N | InChi: | InChI=1S/C20H26FN3/c1-14-9-19(24-20(22)10-14)7-5-16-11-15(12-17(21)13-16)4-6-18-3-2-8-23-18/h9-13,18,23H,2-8H2,1H3,(H2,22,24)/t18-/m1/s1 | Definition date: | 2019-01-02 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine |
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![KL7 KL7](https://data.pdbj.org/pdbjplus/data/cc/svg/KL7.svg) | KL7 | Name: | 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine | Formula: | C19 H25 F2 N3 | SMILES: | CN(C)CCCc1c(c(c(cc1)F)CCc2cc(cc(n2)N)C)F | InChi: | InChI=1S/C19H25F2N3/c1-13-11-15(23-18(22)12-13)7-8-16-17(20)9-6-14(19(16)21)5-4-10-24(2)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,22,23) | Definition date: | 2019-01-02 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine |
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![KLA KLA](https://data.pdbj.org/pdbjplus/data/cc/svg/KLA.svg) | KLA | Name: | 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine | Formula: | C20 H25 F2 N3 | SMILES: | c1(N)nc(cc(c1)C)CCc2cc(cc(c2)F)CCC3CC(CN3)F | InChi: | InChI=1S/C20H25F2N3/c1-13-6-19(25-20(23)7-13)5-3-15-8-14(9-16(21)10-15)2-4-18-11-17(22)12-24-18/h6-10,17-18,24H,2-5,11-12H2,1H3,(H2,23,25)/t17-,18+/m0/s1 | Definition date: | 2019-01-02 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine |
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![KLD KLD](https://data.pdbj.org/pdbjplus/data/cc/svg/KLD.svg) | KLD | Name: | 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine | Formula: | C21 H27 F2 N3 | SMILES: | c1(cc(cc(c1)CCc2cc(cc(n2)N)C)CCC3CC(CN3C)F)F | InChi: | InChI=1S/C21H27F2N3/c1-14-7-19(25-21(24)8-14)5-3-15-9-16(11-17(22)10-15)4-6-20-12-18(23)13-26(20)2/h7-11,18,20H,3-6,12-13H2,1-2H3,(H2,24,25)/t18-,20+/m0/s1 | Definition date: | 2019-01-02 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine |
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![KLM KLM](https://data.pdbj.org/pdbjplus/data/cc/svg/KLM.svg) | KLM | Name: | 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione | Formula: | C26 H28 N6 O4 | SMILES: | CN(C)CC(COc5ccc(Nc4ncc1c(N(C(C(N1)=O)=O)c3cc2CCCc2cc3)n4)cc5)O | InChi: | InChI=1S/C26H28N6O4/c1-31(2)14-20(33)15-36-21-10-7-18(8-11-21)28-26-27-13-22-23(30-26)32(25(35)24(34)29-22)19-9-6-16-4-3-5-17(16)12-19/h6-13,20,33H,3-5,14-15H2,1-2H3,(H,29,34)(H,27,28,30)/t20-/m0/s1 | Definition date: | 2019-01-02 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione |
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