General Information of the Compound
| Compound ID |
CP0506223
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-((5-methylisoxazol-3-yl)methyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H17Cl2N5O2
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| Molecular Weight |
466.328
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| Canonical SMILES |
Cc1cc(CNC(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)no1
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| InChI |
InChI=1S/C23H17Cl2N5O2/c1-14-12-17(29-32-14)13-27-23(31)21-18(10-11-26)22(15-6-8-16(24)9-7-15)30(28-21)20-5-3-2-4-19(20)25/h2-9,12H,10,13H2,1H3,(H,27,31)
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| InChIKey |
XXWLQWYWNHMXLF-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