General Information of the Compound
| Compound ID |
CP0392703
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| Compound Name |
5-(3-Phenyl-thioureido)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C22H20N4O3S2
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| Molecular Weight |
452.561
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2cccc3c(NC(=S)Nc4ccccc4)cccc23)c1C
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| InChI |
InChI=1S/C22H20N4O3S2/c1-14-15(2)25-29-21(14)26-31(27,28)20-13-7-10-17-18(20)11-6-12-19(17)24-22(30)23-16-8-4-3-5-9-16/h3-13,26H,1-2H3,(H2,23,24,30)
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| InChIKey |
GSPSAYRFOXTOER-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