General Information of the Compound
| Compound ID |
CP0425805
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| Compound Name |
(5S,7R)-N-(1-adamantyl)-5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C22H31F3N4O
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| Molecular Weight |
424.511
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| Canonical SMILES |
CC(C)(C)[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/C22H31F3N4O/c1-20(2,3)16-7-17(22(23,24)25)29-18(27-16)15(11-26-29)19(30)28-21-8-12-4-13(9-21)6-14(5-12)10-21/h11-14,16-17,27H,4-10H2,1-3H3,(H,28,30)/t12?,13?,14?,16-,17+,21?/m0/s1
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| InChIKey |
LDWHLSQVTFWNET-MGGSYEJESA-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