General Information of the Compound
| Compound ID |
CP0475140
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| Compound Name |
2-(1-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-1H-pyrazole-3-carbonyl)piperidin-4-yl)benzoic acid
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| Structure |
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| Formula |
C30H24Cl2N4O3
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| Molecular Weight |
559.453
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| Canonical SMILES |
OC(=O)c1ccccc1C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C30H24Cl2N4O3/c31-21-11-9-20(10-12-21)28-24(13-16-33)27(34-36(28)26-8-4-3-7-25(26)32)29(37)35-17-14-19(15-18-35)22-5-1-2-6-23(22)30(38)39/h1-12,19H,13-15,17-18H2,(H,38,39)
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| InChIKey |
PWZFXQQIDJNWEB-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