General Information of the Compound
| Compound ID |
CP0906027
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| Compound Name |
rac-N-[1-Ethyl-1-(4-methylphenyl)propyl]-7,7-dimethyl-2-(methylthio)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrimidine-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H37ClN4OS
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| Molecular Weight |
513.151
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| Canonical SMILES |
CCC(CC)(NC(=O)c1c(SC)nn2c1NC(c1ccccc1)CC2(C)C)c1ccc(C)cc1.Cl
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| InChI |
InChI=1S/C28H36N4OS.ClH/c1-7-28(8-2,21-16-14-19(3)15-17-21)30-25(33)23-24-29-22(20-12-10-9-11-13-20)18-27(4,5)32(24)31-26(23)34-6;/h9-17,22,29H,7-8,18H2,1-6H3,(H,30,33);1H
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| InChIKey |
LFGAEWDWIGUWMI-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