General Information of the Compound
| Compound ID |
CP0494747
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| Compound Name |
2-(3-(4-acetylpiperidine-1-carbonyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C25H22Cl2N4O2
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| Molecular Weight |
481.383
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| Canonical SMILES |
CC(=O)C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C25H22Cl2N4O2/c1-16(32)17-11-14-30(15-12-17)25(33)23-20(10-13-28)24(18-6-8-19(26)9-7-18)31(29-23)22-5-3-2-4-21(22)27/h2-9,17H,10-12,14-15H2,1H3
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| InChIKey |
RWBKMOYFKRJDNF-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