General Information of the Compound
| Compound ID |
CP0115791
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| Compound Name |
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(piperidin-4-ylmethyl)benzamide
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| Structure |
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| Formula |
C23H25ClN6O2
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| Molecular Weight |
452.946
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| Canonical SMILES |
Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCC1CCNCC1
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| InChI |
InChI=1S/C23H25ClN6O2/c24-20-6-1-2-7-21(20)29-23(32)28-18-14-27-30(15-18)19-5-3-4-17(12-19)22(31)26-13-16-8-10-25-11-9-16/h1-7,12,14-16,25H,8-11,13H2,(H,26,31)(H2,28,29,32)
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| InChIKey |
XDNOBDTYZKRSTK-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