General Information of the Compound
| Compound ID |
CP0461852
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| Compound Name |
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C26H27ClN4O2
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| Molecular Weight |
462.981
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NCC1CCNCC1
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| InChI |
InChI=1S/C26H27ClN4O2/c1-17-11-23(26(32)29-15-18-7-9-28-10-8-18)30-31(17)16-21-13-22(27)12-20-14-24(33-25(20)21)19-5-3-2-4-6-19/h2-6,11-14,18,28H,7-10,15-16H2,1H3,(H,29,32)
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| InChIKey |
WCJFVURIXMNTTI-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