General Information of the Compound
| Compound ID |
CP0423687
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| Compound Name |
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-2-carboxamide
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| Structure |
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| Formula |
C25H29N3O4S2
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| Molecular Weight |
499.658
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(cc2)C(C)C)n1
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| InChI |
InChI=1S/C25H29N3O4S2/c1-17(2)18-9-13-21(14-10-18)34(30,31)28-15-5-4-6-23(28)24(29)27-25-26-22(16-33-25)19-7-11-20(32-3)12-8-19/h7-14,16-17,23H,4-6,15H2,1-3H3,(H,26,27,29)/t23-/m1/s1
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| InChIKey |
ZRVBBUATVKPQGK-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