General Information of the Compound
| Compound ID |
CP0454713
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| Compound Name |
5-(Benzhydrylidene-amino)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C28H23N3O3S
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| Molecular Weight |
481.577
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)N=C(c2ccccc2)c2ccccc2)c1C
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| InChI |
InChI=1S/C28H23N3O3S/c1-19-20(2)30-34-28(19)31-35(32,33)26-18-10-15-23-24(26)16-9-17-25(23)29-27(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18,31H,1-2H3
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| InChIKey |
OGZBIIVMWYLURO-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