General Information of the Compound
| Compound ID |
CP0942097
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| Compound Name |
rac-2-Benzyl-N-[1-ethyl-1-(4-methylphenyl)propyl]-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrimidine-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C34H41ClN4O
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| Molecular Weight |
557.182
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| Canonical SMILES |
CCC(CC)(NC(=O)c1c(Cc2ccccc2)nn2c1NC(c1ccccc1)CC2(C)C)c1ccc(C)cc1.Cl
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| InChI |
InChI=1S/C34H40N4O.ClH/c1-6-34(7-2,27-20-18-24(3)19-21-27)36-32(39)30-28(22-25-14-10-8-11-15-25)37-38-31(30)35-29(23-33(38,4)5)26-16-12-9-13-17-26;/h8-21,29,35H,6-7,22-23H2,1-5H3,(H,36,39);1H
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| InChIKey |
XZQLFMBJFLNIAW-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