General Information of the Compound
| Compound ID |
CP0417704
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| Compound Name |
4-cyano-N-(naphthalen-1-ylmethyl)-N-(4-phenoxyphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C30H22N2O3S
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| Molecular Weight |
490.584
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| Canonical SMILES |
O=S(=O)(N(Cc1cccc2ccccc12)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C30H22N2O3S/c31-21-23-13-19-29(20-14-23)36(33,34)32(22-25-9-6-8-24-7-4-5-12-30(24)25)26-15-17-28(18-16-26)35-27-10-2-1-3-11-27/h1-20H,22H2
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| InChIKey |
DCRUKQGJHAKQAZ-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