General Information of the Compound
| Compound ID |
CP0142664
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| Compound Name |
3-cyano-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C29H20N2O4S
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| Molecular Weight |
492.556
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| Canonical SMILES |
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C29H20N2O4S/c30-18-19-4-1-9-26(14-19)36(34,35)31-24-7-2-6-23(16-24)29-27-12-10-21(15-22(27)11-13-28(29)33)20-5-3-8-25(32)17-20/h1-17,31-33H
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| InChIKey |
YSBHKVGWAMNYOM-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