General Information of the Compound
| Compound ID |
CP0386963
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| Compound Name |
N-benzyl-3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H22N2O3S
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| Molecular Weight |
430.529
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C25H22N2O3S/c1-30-24-10-5-11-25(17-24)31(28,29)27(19-20-7-3-2-4-8-20)23-14-12-21(13-15-23)22-9-6-16-26-18-22/h2-18H,19H2,1H3
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| InChIKey |
XBQAQMRJFUTVHB-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