General Information of the Compound
Compound ID |
CP0387085
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Compound Name |
(5S,7R)-N-(1-adamantyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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Structure |
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Formula |
C22H25F3N4O2
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Molecular Weight |
434.462
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Canonical SMILES |
FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccco1
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InChI |
InChI=1S/C22H25F3N4O2/c23-22(24,25)18-7-16(17-2-1-3-31-17)27-19-15(11-26-29(18)19)20(30)28-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,11-14,16,18,27H,4-10H2,(H,28,30)/t12?,13?,14?,16-,18+,21?/m0/s1
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InChIKey |
IOKIAXQCMSCAQK-CUVMEAOPSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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