General Information of the Compound
| Compound ID |
CP0918958
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| Compound Name |
(5R)-N-{1-[4-(Benzyloxy)phenyl]-1-ethylpropyl}-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrimidine-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C34H41ClN4O2
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| Molecular Weight |
573.181
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| Canonical SMILES |
CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(OCc2ccccc2)cc1.Cl
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| InChI |
InChI=1S/C34H40N4O2.ClH/c1-6-34(7-2,27-18-20-28(21-19-27)40-23-25-14-10-8-11-15-25)36-32(39)30-24(3)37-38-31(30)35-29(22-33(38,4)5)26-16-12-9-13-17-26;/h8-21,29,35H,6-7,22-23H2,1-5H3,(H,36,39);1H/t29-;/m1./s1
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| InChIKey |
KIPFEFRZHATJSI-XXIQNXCHSA-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