General Information of the Compound
| Compound ID |
CP0109064
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| Compound Name |
1-[4-(benzenesulfonyl)phenyl]-3-[(6-methylpyridin-3-yl)methyl]urea
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| Structure |
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| Formula |
C20H19N3O3S
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| Molecular Weight |
381.457
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| Canonical SMILES |
Cc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1
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| InChI |
InChI=1S/C20H19N3O3S/c1-15-7-8-16(13-21-15)14-22-20(24)23-17-9-11-19(12-10-17)27(25,26)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,22,23,24)
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| InChIKey |
WMNWQJIBURLDPU-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