General Information of the Compound
| Compound ID |
CP0398074
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| Compound Name |
(5S,7R)-N-(1-adamantyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C26H31F3N4O
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| Molecular Weight |
472.555
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| Canonical SMILES |
CCc1ccc(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/C26H31F3N4O/c1-2-15-3-5-19(6-4-15)21-10-22(26(27,28)29)33-23(31-21)20(14-30-33)24(34)32-25-11-16-7-17(12-25)9-18(8-16)13-25/h3-6,14,16-18,21-22,31H,2,7-13H2,1H3,(H,32,34)/t16?,17?,18?,21-,22+,25?/m0/s1
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| InChIKey |
ZJNIQQWQHALFCC-HKNBKANMSA-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