General Information of the Compound
| Compound ID |
CP0115785
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| Compound Name |
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)benzamide
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| Structure |
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| Formula |
C23H22ClN7O2
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| Molecular Weight |
463.929
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| Canonical SMILES |
CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
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| InChI |
InChI=1S/C23H22ClN7O2/c1-15(2)30-13-17(11-25-30)27-22(32)16-6-5-7-19(10-16)31-14-18(12-26-31)28-23(33)29-21-9-4-3-8-20(21)24/h3-15H,1-2H3,(H,27,32)(H2,28,29,33)
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| InChIKey |
CUDZNCZDKGCXRX-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