General Information of the Compound
| Compound ID |
CP0531936
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| Compound Name |
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
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| Structure |
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| Formula |
C22H22ClN3O3S2
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| Molecular Weight |
476.023
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22ClN3O3S2/c1-15-5-11-18(12-6-15)31(28,29)26-13-3-2-4-20(26)21(27)25-22-24-19(14-30-22)16-7-9-17(23)10-8-16/h5-12,14,20H,2-4,13H2,1H3,(H,24,25,27)/t20-/m1/s1
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| InChIKey |
UEILPNWTGNXVFQ-HXUWFJFHSA-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