General Information of the Compound
| Compound ID |
CP0561102
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| Compound Name |
6-(2-hydroxyethyl)-N-[[4-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C28H27N3O5S2
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| Molecular Weight |
549.674
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| Canonical SMILES |
OCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cc(CCO)ccc3c2)cc1
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| InChI |
InChI=1S/C28H27N3O5S2/c32-16-14-20-6-7-22-19-23(9-8-21(22)18-20)27(34)30-28(37)29-24-10-12-26(13-11-24)38(35,36)31(15-17-33)25-4-2-1-3-5-25/h1-13,18-19,32-33H,14-17H2,(H2,29,30,34,37)
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| InChIKey |
AJAXBPFRKAHCFT-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