General Information of the Compound
| Compound ID |
CP0433947
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| Compound Name |
(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
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| Structure |
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| Formula |
C22H24N4O4S2
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| Molecular Weight |
472.592
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)s1
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| InChI |
InChI=1S/C22H24N4O4S2/c1-15-6-12-18(13-7-15)32(28,29)26-14-4-3-5-19(26)20(27)23-22-25-24-21(31-22)16-8-10-17(30-2)11-9-16/h6-13,19H,3-5,14H2,1-2H3,(H,23,25,27)/t19-/m1/s1
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| InChIKey |
QDVMTZJCMNKDGP-LJQANCHMSA-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