General Information of the Compound
| Compound ID |
CP0425590
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| Compound Name |
(5S,7R)-5-phenyl-7-(trifluoromethyl)-N-(4-(trifluoromethyl)benzyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C22H18F6N4O
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| Molecular Weight |
468.401
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| Canonical SMILES |
FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NCc1ccc(cc1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C22H18F6N4O/c23-21(24,25)15-8-6-13(7-9-15)11-29-20(33)16-12-30-32-18(22(26,27)28)10-17(31-19(16)32)14-4-2-1-3-5-14/h1-9,12,17-18,31H,10-11H2,(H,29,33)/t17-,18+/m0/s1
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| InChIKey |
SMDFTUTXLCAQBO-ZWKOTPCHSA-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