General Information of the Compound
| Compound ID |
CP0088905
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| Compound Name |
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-piperidin-4-ylpyrazol-4-yl)benzamide
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| Structure |
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| Formula |
C25H25ClN8O2
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| Molecular Weight |
504.982
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| Canonical SMILES |
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNCC1
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| InChI |
InChI=1S/C25H25ClN8O2/c26-22-6-1-2-7-23(22)32-25(36)31-19-14-29-34(16-19)21-5-3-4-17(12-21)24(35)30-18-13-28-33(15-18)20-8-10-27-11-9-20/h1-7,12-16,20,27H,8-11H2,(H,30,35)(H2,31,32,36)
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| InChIKey |
ILUOKEKSMZBBQY-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