General Information of the Compound
| Compound ID |
CP0512823
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| Compound Name |
6-(2-hydroxyethyl)-N-[[4-[[5-(hydroxymethyl)furan-2-yl]methyl-phenylsulfamoyl]phenyl]carbamothioyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C32H29N3O6S2
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| Molecular Weight |
615.733
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| Canonical SMILES |
OCCc1ccc2cc(ccc2c1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CO)o1)c1ccccc1
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| InChI |
InChI=1S/C32H29N3O6S2/c36-17-16-22-6-7-24-19-25(9-8-23(24)18-22)31(38)34-32(42)33-26-10-14-30(15-11-26)43(39,40)35(27-4-2-1-3-5-27)20-28-12-13-29(21-37)41-28/h1-15,18-19,36-37H,16-17,20-21H2,(H2,33,34,38,42)
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| InChIKey |
PNEBLGDNKKOBTR-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