General Information of the Compound
| Compound ID |
CP0871617
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| Compound Name |
rac-N-[1-Ethyl-1-(4-methylphenyl)propyl]-7,7-dimethyl-5-phenyl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C30H41ClN4O
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| Molecular Weight |
509.138
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| Canonical SMILES |
CCCc1nn2c(c1C(=O)NC(CC)(CC)c1ccc(C)cc1)NC(c1ccccc1)CC2(C)C.Cl
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| InChI |
InChI=1S/C30H40N4O.ClH/c1-7-13-24-26(28(35)32-30(8-2,9-3)23-18-16-21(4)17-19-23)27-31-25(22-14-11-10-12-15-22)20-29(5,6)34(27)33-24;/h10-12,14-19,25,31H,7-9,13,20H2,1-6H3,(H,32,35);1H
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| InChIKey |
UMMWSIUOZAZYTC-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