General Information of the Compound
| Compound ID |
CP0425802
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| Compound Name |
1-Adamantyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo-[1,5-a]-pyrimidine-3-carboxylate
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| Structure |
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| Formula |
C24H26F3N3O2
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| Molecular Weight |
445.485
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| Canonical SMILES |
FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)OC12CC3CC(CC(C3)C1)C2)c1ccccc1
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| InChI |
InChI=1S/C24H26F3N3O2/c25-24(26,27)20-9-19(17-4-2-1-3-5-17)29-21-18(13-28-30(20)21)22(31)32-23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,13-16,19-20,29H,6-12H2/t14?,15?,16?,19-,20+,23?/m0/s1
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| InChIKey |
NYBHMQCIWADUPY-ZJJNMPENSA-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