General Information of the Compound
| Compound ID |
CP0904394
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| Compound Name |
1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-N-(4-(piperidin-1-ylmethyl)phenyl)-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C31H34Cl2N4O2
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| Molecular Weight |
565.545
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1.Cl
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| InChI |
InChI=1S/C31H33ClN4O2.ClH/c1-23-18-29(31(37)33-28-13-10-24(11-14-28)20-35-16-6-3-7-17-35)34-36(23)21-26-19-27(32)12-15-30(26)38-22-25-8-4-2-5-9-25;/h2,4-5,8-15,18-19H,3,6-7,16-17,20-22H2,1H3,(H,33,37);1H
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| InChIKey |
QSEJNNBUVALTRZ-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