General Information of the Compound
| Compound ID |
CP0177917
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| Compound Name |
[1-[(4-chlorophenyl)sulfonylcarbamoyl]-4-cyanopiperidin-4-yl] 2-phenylacetate
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| Structure |
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| Formula |
C21H20ClN3O5S
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| Molecular Weight |
461.927
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)(OC(=O)Cc1ccccc1)C#N
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| InChI |
InChI=1S/C21H20ClN3O5S/c22-17-6-8-18(9-7-17)31(28,29)24-20(27)25-12-10-21(15-23,11-13-25)30-19(26)14-16-4-2-1-3-5-16/h1-9H,10-14H2,(H,24,27)
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| InChIKey |
XACJCUXCVSVDBT-UHFFFAOYSA-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