General Information of the Compound
| Compound ID |
CP0425803
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| Compound Name |
(5S,7R)-N-(1-adamantyl)-4-methyl-5-phenyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C25H29F3N4O
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| Molecular Weight |
458.528
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| Canonical SMILES |
CN1[C@@H](C[C@@H](n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c12)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C25H29F3N4O/c1-31-20(18-5-3-2-4-6-18)10-21(25(26,27)28)32-23(31)19(14-29-32)22(33)30-24-11-15-7-16(12-24)9-17(8-15)13-24/h2-6,14-17,20-21H,7-13H2,1H3,(H,30,33)/t15?,16?,17?,20-,21+,24?/m0/s1
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| InChIKey |
SVRNTBAAYAVMII-ONZSLIJNSA-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