General Information of the Compound
| Compound ID |
CP0425804
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| Compound Name |
N-[[(5S,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methyl]adamantan-1-amine
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| Structure |
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| Formula |
C24H29F3N4
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| Molecular Weight |
430.518
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| Canonical SMILES |
FC(F)(F)[C@H]1C[C@H](Nc2c(CNC34CC5CC(CC(C5)C3)C4)cnn12)c1ccccc1
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| InChI |
InChI=1S/C24H29F3N4/c25-24(26,27)21-9-20(18-4-2-1-3-5-18)30-22-19(14-29-31(21)22)13-28-23-10-15-6-16(11-23)8-17(7-15)12-23/h1-5,14-17,20-21,28,30H,6-13H2/t15?,16?,17?,20-,21+,23?/m0/s1
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| InChIKey |
HLMSHPSRYXUUAT-HEKNWVKJSA-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