General Information of the Compound
| Compound ID |
CP0496781
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| Compound Name |
(5-(4-cyanobenzoyl)imino-2-(4-cyanobenzoyl)-1,3-diphenyl-1,2-dihydropyrazole
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| Formula |
C31H19N5O2
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| Molecular Weight |
493.526
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| Canonical SMILES |
O=C(\N=c1/cc(-c2ccccc2)n(C(=O)c2ccc(cc2)C#N)n1-c1ccccc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C31H19N5O2/c32-20-22-11-15-25(16-12-22)30(37)34-29-19-28(24-7-3-1-4-8-24)36(35(29)27-9-5-2-6-10-27)31(38)26-17-13-23(21-33)14-18-26/h1-19H/b34-29+
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| InChIKey |
YEWMBAYIACHSIH-RIHQVDFKSA-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