General Information of the Compound
| Compound ID |
CP0508055
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| Compound Name |
(5S,7R)-N-(1-adamantyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C25H29F3N4O2
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| Molecular Weight |
474.527
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1C[C@@H](n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2N1)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N4O2/c1-34-18-4-2-17(3-5-18)20-9-21(25(26,27)28)32-22(30-20)19(13-29-32)23(33)31-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-5,13-16,20-21,30H,6-12H2,1H3,(H,31,33)/t14?,15?,16?,20-,21+,24?/m0/s1
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| InChIKey |
ZMFMOZDOVZHYCT-GNHJQAFXSA-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