General Information of the Compound
| Compound ID |
CP0456350
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| Compound Name |
4-chloro-3-pyrazol-1-yl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
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| Structure |
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| Formula |
C23H23ClN6O
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| Molecular Weight |
434.931
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| Canonical SMILES |
Clc1ccc(cc1-n1cccn1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C23H23ClN6O/c24-18-9-8-17(16-21(18)30-13-5-10-25-30)22(31)27-23-26-19-6-1-2-7-20(19)29(23)15-14-28-11-3-4-12-28/h1-2,5-10,13,16H,3-4,11-12,14-15H2,(H,26,27,31)
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| InChIKey |
STIZQKSJDWMFPM-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