General Information of the Compound
| Compound ID |
CP0536627
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(2-(4-fluorophenyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C29H23Cl2FN4O
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| Molecular Weight |
533.434
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| Canonical SMILES |
Fc1ccc(cc1)C1CCCCN1C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C29H23Cl2FN4O/c30-21-12-8-20(9-13-21)28-23(16-17-33)27(34-36(28)26-7-2-1-5-24(26)31)29(37)35-18-4-3-6-25(35)19-10-14-22(32)15-11-19/h1-2,5,7-15,25H,3-4,6,16,18H2
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| InChIKey |
DOTRNDAQICTKOW-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