General Information of the Compound
| Compound ID |
CP0524105
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| Compound Name |
(5S,7R)-N-(1-adamantyl)-5-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C23H26F3N5O
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| Molecular Weight |
445.489
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| Canonical SMILES |
FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccnc1
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| InChI |
InChI=1S/C23H26F3N5O/c24-23(25,26)19-7-18(16-2-1-3-27-11-16)29-20-17(12-28-31(19)20)21(32)30-22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,11-15,18-19,29H,4-10H2,(H,30,32)/t13?,14?,15?,18-,19+,22?/m0/s1
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| InChIKey |
VBKRXAWTMUAUFL-RJDNYWAMSA-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