![FE7 FE7](https://data.pdbj.org/pdbjplus/data/cc/svg/FE7.svg) | FE7 | Name: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide | Formula: | C29 H32 N4 O3 S | SMILES: | c15c(NC(=O)C/1=C(c2ccccc2)Nc3ccc(cc3)CN4CCCCC4)ccc(c5)NS(CC)(=O)=O | InChi: | InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27- | Definition date: | 2018-03-26 | Last modified: | 2018-04-06 | Release date: | 2018-04-11 | Identifier: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide |
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![NS0 NS0](https://data.pdbj.org/pdbjplus/data/cc/svg/NS0.svg) | NS0 | Name: | all-trans-1,2-dihydroneurosporene | Formula: | C40 H60 | SMILES: | CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C | InChi: | InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19,21-22,25-31,34H,13-14,18,20,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ | Definition date: | 2017-11-13 | Last modified: | 2018-04-06 | Release date: | 2018-04-11 | Identifier: | (6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26-undecaene |
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![Y50 Y50](https://data.pdbj.org/pdbjplus/data/cc/svg/Y50.svg) | Y50 | Name: | E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one | Formula: | C22 H23 N O4 | SMILES: | COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1N | InChi: | InChI=1S/C22H23NO4/c1-22(2)12-11-16-19(25-3)10-7-15(21(16)27-22)18(24)8-5-14-6-9-20(26-4)17(23)13-14/h5-13H,23H2,1-4H3/b8-5+ | Definition date: | 2017-10-19 | Last modified: | 2018-04-06 | Release date: | 2018-04-11 | Identifier: | (~{E})-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one |
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![4CZ 4CZ](https://data.pdbj.org/pdbjplus/data/cc/svg/4CZ.svg) | 4CZ | Name: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide | Formula: | C30 H30 N2 O4 S2 | SMILES: | N(c2sc(c(c1ccccc1)n2)C(c3c(cccc3)CC(C)C)=O)C(Cc4ccc(cc4)S(CC)(=O)=O)=O | InChi: | InChI=1S/C30H30N2O4S2/c1-4-38(35,36)24-16-14-21(15-17-24)19-26(33)31-30-32-27(22-10-6-5-7-11-22)29(37-30)28(34)25-13-9-8-12-23(25)18-20(2)3/h5-17,20H,4,18-19H2,1-3H3,(H,31,32,33) | Definition date: | 2015-03-02 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide |
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![83O 83O](https://data.pdbj.org/pdbjplus/data/cc/svg/83O.svg) | 83O | Name: | (2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid | Formula: | C5 H8 N4 O2 | SMILES: | N[CH](Cc1[nH]cnn1)C(O)=O | InChi: | InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)/t3-/m0/s1 | Definition date: | 2017-03-31 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | (2~{S})-2-azanyl-3-(4~{H}-1,2,4-triazol-3-yl)propanoic acid |
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![QWV QWV](https://data.pdbj.org/pdbjplus/data/cc/svg/QWV.svg) | QWV | Name: | N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide | Formula: | C59 H107 N O9 | SMILES: | C(OC2C(C(C(O)C(COC(CCc1ccccc1)=O)O2)O)O)C(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCC)O | InChi: | InChI=1S/C59H107NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41-45-54(62)60-51(52(61)44-40-35-33-31-29-27-16-14-12-10-8-6-4-2)48-68-59-58(66)57(65)56(64)53(69-59)49-67-55(63)47-46-50-42-38-37-39-43-50/h37-39,42-43,51-53,56-59,61,64-66H,3-36,40-41,44-49H2,1-2H3,(H,60,62)/t51-,52+,53+,56-,57-,58+,59-/m0/s1 | Definition date: | 2017-11-20 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide |
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![9QN 9QN](https://data.pdbj.org/pdbjplus/data/cc/svg/9QN.svg) | 9QN | Name: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Formula: | C21 H23 Cl2 N3 O4 S | SMILES: | OC[CH]1CN(Cc2ccccn2)C(=O)[CH]3CCC[CH]1N3[S](=O)(=O)c4cc(Cl)cc(Cl)c4 | InChi: | InChI=1S/C21H23Cl2N3O4S/c22-15-8-16(23)10-18(9-15)31(29,30)26-19-5-3-6-20(26)21(28)25(11-14(19)13-27)12-17-4-1-2-7-24-17/h1-2,4,7-10,14,19-20,27H,3,5-6,11-13H2/t14-,19-,20+/m1/s1 | Definition date: | 2017-06-28 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one |
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![B1S B1S](https://data.pdbj.org/pdbjplus/data/cc/svg/B1S.svg) | B1S | Name: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C21 H31 N3 O8 S | SMILES: | C(c1ccccc1)OC(=O)NC(C(=O)NC(C(S(=O)(=O)O)O)CC2CCNC2=O)CC(C)C | InChi: | InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20+/m0/s1 | Definition date: | 2017-07-31 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![B3G B3G](https://data.pdbj.org/pdbjplus/data/cc/svg/B3G.svg) | B3G | Name: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C22 H32 Cl N3 O8 S | SMILES: | C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(=O)(O)=O | InChi: | InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21+/m0/s1 | Definition date: | 2017-07-31 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![BN7 BN7](https://data.pdbj.org/pdbjplus/data/cc/svg/BN7.svg) | BN7 | Name: | 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate | Formula: | C14 H24 N2 O3 S | SMILES: | O=C(OCC(C)C)CCCCC2C1NC(=O)NC1CS2 | InChi: | InChI=1S/C14H24N2O3S/c1-9(2)7-19-12(17)6-4-3-5-11-13-10(8-20-11)15-14(18)16-13/h9-11,13H,3-8H2,1-2H3,(H2,15,16,18)/t10-,11-,13-/m0/s1 | Definition date: | 2017-04-03 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate |
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![C6Z C6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/C6Z.svg) | C6Z | Name: | 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol | Formula: | C11 H8 Cl2 N2 S | SMILES: | Sc1ccc(Cc2ccc(Cl)cc2Cl)nn1 | InChi: | InChI=1S/C11H8Cl2N2S/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(16)15-14-9/h1-4,6H,5H2,(H,15,16) | Definition date: | 2017-11-15 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol |
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![CJ2 CJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ2.svg) | CJ2 | Name: | 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide | Formula: | C18 H15 F3 N4 O3 | SMILES: | COc1ccc(Cn2nnc(O)c2C(=O)Nc3cccc(c3)C(F)(F)F)cc1 | InChi: | InChI=1S/C18H15F3N4O3/c1-28-14-7-5-11(6-8-14)10-25-15(17(27)23-24-25)16(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-9,27H,10H2,1H3,(H,22,26) | Definition date: | 2017-11-27 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide |
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![CJ7 CJ7](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ7.svg) | CJ7 | Name: | 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole | Formula: | C17 H20 F N5 S | SMILES: | c1c2c(ccc1F)n(C)c3nc(nnc23)SCCN4CCCCC4 | InChi: | InChI=1S/C17H20FN5S/c1-22-14-6-5-12(18)11-13(14)15-16(22)19-17(21-20-15)24-10-9-23-7-3-2-4-8-23/h5-6,11H,2-4,7-10H2,1H3 | Definition date: | 2017-09-25 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
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![CV4 CV4](https://data.pdbj.org/pdbjplus/data/cc/svg/CV4.svg) | CV4 | Name: | N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide | Formula: | C18 H16 F3 N5 O2 S | SMILES: | c1(cc(S(NC)(=O)=O)ccc1)Nc3cc(Nc2ccc(cc2)C(F)(F)F)ncn3 | InChi: | InChI=1S/C18H16F3N5O2S/c1-22-29(27,28)15-4-2-3-14(9-15)26-17-10-16(23-11-24-17)25-13-7-5-12(6-8-13)18(19,20)21/h2-11,22H,1H3,(H2,23,24,25,26) | Definition date: | 2017-10-03 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide |
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![CVN CVN](https://data.pdbj.org/pdbjplus/data/cc/svg/CVN.svg) | CVN | Name: | 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one | Formula: | C15 H8 F6 N2 O2 | SMILES: | FC(F)(F)c1cc(Nc2cccc3ONC(=O)c23)cc(c1)C(F)(F)F | InChi: | InChI=1S/C15H8F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-10-2-1-3-11-12(10)13(24)23-25-11/h1-6,22H,(H,23,24) | Definition date: | 2017-12-08 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one |
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![98D 98D](https://data.pdbj.org/pdbjplus/data/cc/svg/98D.svg) | 98D | Name: | 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | Formula: | C26 H30 N8 O2 | SMILES: | n3cc2c(N(c1nc(C(O)C)ccc1)N(C2=O)CC=C)nc3Nc5ccc(N4CCN(C)CC4)cc5 | InChi: | InChI=1S/C26H30N8O2/c1-4-12-33-25(36)21-17-27-26(30-24(21)34(33)23-7-5-6-22(29-23)18(2)35)28-19-8-10-20(11-9-19)32-15-13-31(3)14-16-32/h4-11,17-18,35H,1,12-16H2,2-3H3,(H,27,28,30)/t18-/m0/s1 | Definition date: | 2017-04-09 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![98G 98G](https://data.pdbj.org/pdbjplus/data/cc/svg/98G.svg) | 98G | Name: | 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | Formula: | C26 H30 N8 O2 | SMILES: | n3cc2c(N(c1nc(C(C)O)ccc1)N(C2=O)CC=C)nc3Nc5ccc(N4CCN(C)CC4)cc5 | InChi: | InChI=1S/C26H30N8O2/c1-4-12-33-25(36)21-17-27-26(30-24(21)34(33)23-7-5-6-22(29-23)18(2)35)28-19-8-10-20(11-9-19)32-15-13-31(3)14-16-32/h4-11,17-18,35H,1,12-16H2,2-3H3,(H,27,28,30)/t18-/m1/s1 | Definition date: | 2017-04-09 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![99K 99K](https://data.pdbj.org/pdbjplus/data/cc/svg/99K.svg) | 99K | Name: | 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine | Formula: | C11 H6 Cl F3 N4 O2 | SMILES: | [O-][N+](=O)c1cccnc1Nc2ncc(cc2Cl)C(F)(F)F | InChi: | InChI=1S/C11H6ClF3N4O2/c12-7-4-6(11(13,14)15)5-17-9(7)18-10-8(19(20)21)2-1-3-16-10/h1-5H,(H,16,17,18) | Definition date: | 2017-05-02 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine |
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![99V 99V](https://data.pdbj.org/pdbjplus/data/cc/svg/99V.svg) | 99V | Name: | 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | Formula: | C27 H31 F N8 O2 | SMILES: | c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc4cc(F)c(cc4)N5CCN(C)CC5)CC=C)C(O)(C)C | InChi: | InChI=1S/C27H31FN8O2/c1-5-11-35-25(37)19-17-29-26(32-24(19)36(35)23-8-6-7-22(31-23)27(2,3)38)30-18-9-10-21(20(28)16-18)34-14-12-33(4)13-15-34/h5-10,16-17,38H,1,11-15H2,2-4H3,(H,29,30,32) | Definition date: | 2017-04-11 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![9CH 9CH](https://data.pdbj.org/pdbjplus/data/cc/svg/9CH.svg) | 9CH | Name: | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione | Formula: | C20 H20 Cl2 N8 O3 | SMILES: | CN1C(=O)N(C)c2nc(N3CCNCC3)n(Cc4oc(nn4)c5ccc(Cl)c(Cl)c5)c2C1=O | InChi: | InChI=1S/C20H20Cl2N8O3/c1-27-16-15(18(31)28(2)20(27)32)30(19(24-16)29-7-5-23-6-8-29)10-14-25-26-17(33-14)11-3-4-12(21)13(22)9-11/h3-4,9,23H,5-8,10H2,1-2H3 | Definition date: | 2017-05-06 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione |
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![9CT 9CT](https://data.pdbj.org/pdbjplus/data/cc/svg/9CT.svg) | 9CT | Name: | ~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide | Formula: | C23 H26 N4 O4 | SMILES: | CCC(=O)Nc1ccccc1C(=O)Nc2[nH]nc(CCc3cc(OC)cc(OC)c3)c2 | InChi: | InChI=1S/C23H26N4O4/c1-4-22(28)24-20-8-6-5-7-19(20)23(29)25-21-13-16(26-27-21)10-9-15-11-17(30-2)14-18(12-15)31-3/h5-8,11-14H,4,9-10H2,1-3H3,(H,24,28)(H2,25,26,27,29) | Definition date: | 2017-05-09 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | ~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide |
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![DL2 DL2](https://data.pdbj.org/pdbjplus/data/cc/svg/DL2.svg) | DL2 | Name: | 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one | Formula: | C18 H17 Cl N2 O4 | SMILES: | ClC1=CCC(=NC1=O)CC(=O)N2CCC3(CC2)Oc4ccccc4O3 | InChi: | InChI=1S/C18H17ClN2O4/c19-13-6-5-12(20-17(13)23)11-16(22)21-9-7-18(8-10-21)24-14-3-1-2-4-15(14)25-18/h1-4,6H,5,7-11H2 | Definition date: | 2018-01-24 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one |
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![DLB DLB](https://data.pdbj.org/pdbjplus/data/cc/svg/DLB.svg) | DLB | Name: | 3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid | Formula: | C25 H28 Cl N O5 | SMILES: | CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccc(CCC(O)=O)cc3O2)c4ccc(Cl)cc4 | InChi: | InChI=1S/C25H28ClNO5/c1-16(2)23(18-5-7-19(26)8-6-18)24(30)27-13-11-25(12-14-27)31-20-9-3-17(4-10-22(28)29)15-21(20)32-25/h3,5-9,15-16,23H,4,10-14H2,1-2H3,(H,28,29)/t23-/m0/s1 | Definition date: | 2018-01-24 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid |
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![DLH DLH](https://data.pdbj.org/pdbjplus/data/cc/svg/DLH.svg) | DLH | Name: | 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone | Formula: | C19 H18 Cl N O3 | SMILES: | Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1 | InChi: | InChI=1S/C19H18ClNO3/c20-15-7-5-14(6-8-15)13-18(22)21-11-9-19(10-12-21)23-16-3-1-2-4-17(16)24-19/h1-8H,9-13H2 | Definition date: | 2018-01-24 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone |
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![DN5 DN5](https://data.pdbj.org/pdbjplus/data/cc/svg/DN5.svg) | DN5 | Name: | (2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one | Formula: | C22 H23 Cl2 N O3 | SMILES: | CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)c(Cl)c4 | InChi: | InChI=1S/C22H23Cl2NO3/c1-14(2)20(15-7-8-16(23)17(24)13-15)21(26)25-11-9-22(10-12-25)27-18-5-3-4-6-19(18)28-22/h3-8,13-14,20H,9-12H2,1-2H3/t20-/m0/s1 | Definition date: | 2018-01-24 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | (2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one |
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