General Information of the Compound
| Compound ID |
CP0930851
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| Compound Name |
rac-2-Butyl-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 |
C31H43ClN4O
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| Molecular Weight |
523.165
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| Canonical SMILES |
CCCCc1nn2c(c1C(=O)NC(CC)(CC)c1ccc(C)cc1)NC(c1ccccc1)CC2(C)C.Cl
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| InChI |
InChI=1S/C31H42N4O.ClH/c1-7-10-16-25-27(29(36)33-31(8-2,9-3)24-19-17-22(4)18-20-24)28-32-26(23-14-12-11-13-15-23)21-30(5,6)35(28)34-25;/h11-15,17-20,26,32H,7-10,16,21H2,1-6H3,(H,33,36);1H
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| InChIKey |
GARQOIKTRDWFPJ-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