General Information of the Compound
| Compound ID |
CP0447709
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(5-cyanopyridin-2-yl)piperazine-1-carbonyl)-1H-pyrazol-4-yl)acetamide
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| Structure |
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| Formula |
C28H23Cl2N7O2
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| Molecular Weight |
560.445
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| Canonical SMILES |
NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCN(CC1)c1ccc(cn1)C#N
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| InChI |
InChI=1S/C28H23Cl2N7O2/c29-20-8-6-19(7-9-20)27-21(15-24(32)38)26(34-37(27)23-4-2-1-3-22(23)30)28(39)36-13-11-35(12-14-36)25-10-5-18(16-31)17-33-25/h1-10,17H,11-15H2,(H2,32,38)
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| InChIKey |
NNUBKLAVHDDPPZ-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