General Information of the Compound
| Compound ID |
CP0438916
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| Compound Name |
(2R)-1-(4-chlorophenyl)sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C21H21ClN4O4S2
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| Molecular Weight |
493.01
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C21H21ClN4O4S2/c1-30-16-9-5-14(6-10-16)20-24-25-21(31-20)23-19(27)18-4-2-3-13-26(18)32(28,29)17-11-7-15(22)8-12-17/h5-12,18H,2-4,13H2,1H3,(H,23,25,27)/t18-/m1/s1
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| InChIKey |
FIAYZHOGRGVADF-GOSISDBHSA-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