General Information of the Compound
| Compound ID |
CP0533033
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(methylsulfonyl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C24H22Cl2N4O3S
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| Molecular Weight |
517.438
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| Canonical SMILES |
CS(=O)(=O)C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C24H22Cl2N4O3S/c1-34(32,33)18-11-14-29(15-12-18)24(31)22-19(10-13-27)23(16-6-8-17(25)9-7-16)30(28-22)21-5-3-2-4-20(21)26/h2-9,18H,10-12,14-15H2,1H3
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| InChIKey |
LROPOJCXLPZCHL-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