General Information of the Compound
| Compound ID |
CP0398073
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| Compound Name |
(5S,7R)-N-(1-adamantyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C24H26ClF3N4O
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| Molecular Weight |
478.946
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| Canonical SMILES |
FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H26ClF3N4O/c25-17-3-1-16(2-4-17)19-8-20(24(26,27)28)32-21(30-19)18(12-29-32)22(33)31-23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,12-15,19-20,30H,5-11H2,(H,31,33)/t13?,14?,15?,19-,20+,23?/m0/s1
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| InChIKey |
KEWLFZOSWXFECH-JFUWQCHASA-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