General Information of the Compound
| Compound ID |
CP0531934
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| Compound Name |
(2R)-1-(4-methylphenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C25H29N3O3S2
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| Molecular Weight |
483.659
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C25H29N3O3S2/c1-17(2)19-9-11-20(12-10-19)22-16-32-25(26-22)27-24(29)23-6-4-5-15-28(23)33(30,31)21-13-7-18(3)8-14-21/h7-14,16-17,23H,4-6,15H2,1-3H3,(H,26,27,29)/t23-/m1/s1
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| InChIKey |
ADSSVNAXCSTXMN-HSZRJFAPSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound