General Information of the Compound
| Compound ID |
CP0512822
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| Compound Name |
6-(2-hydroxyethyl)-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C27H25N3O4S2
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| Molecular Weight |
519.648
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| Canonical SMILES |
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cc(CCO)ccc3c2)cc1
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| InChI |
InChI=1S/C27H25N3O4S2/c1-30(24-5-3-2-4-6-24)36(33,34)25-13-11-23(12-14-25)28-27(35)29-26(32)22-10-9-20-17-19(15-16-31)7-8-21(20)18-22/h2-14,17-18,31H,15-16H2,1H3,(H2,28,29,32,35)
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| InChIKey |
BGDCQTYNGISFEF-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