General Information of the Compound
| Compound ID |
CP0506475
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H20Cl2N4O2
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| Molecular Weight |
503.389
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| Canonical SMILES |
O[C@H]1Cc2ccccc2[C@H]1NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C27H20Cl2N4O2/c28-18-11-9-16(10-12-18)26-20(13-14-30)25(32-33(26)22-8-4-3-7-21(22)29)27(35)31-24-19-6-2-1-5-17(19)15-23(24)34/h1-12,23-24,34H,13,15H2,(H,31,35)/t23-,24+/m0/s1
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| InChIKey |
DJNKCVXTFMFDJK-BJKOFHAPSA-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