General Information of the Compound
| Compound ID |
CP0438915
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| Compound Name |
(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
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| Structure |
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| Formula |
C23H25N3O4S2
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| Molecular Weight |
471.604
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C23H25N3O4S2/c1-16-5-11-20(12-6-16)32(28,29)26-13-3-4-18(14-26)22(27)25-23-24-21(15-31-23)17-7-9-19(30-2)10-8-17/h5-12,15,18H,3-4,13-14H2,1-2H3,(H,24,25,27)/t18-/m0/s1
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| InChIKey |
BSPQWRDXTRJYCU-SFHVURJKSA-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