General Information of the Compound
| Compound ID |
CP0525388
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| Compound Name |
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-1-(2H-[1,2,4]triazol-3-ylmethyl)-piperidine
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| Structure |
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| Formula |
C24H24F6N4O
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| Molecular Weight |
498.471
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCN(Cc3nnc[nH]3)CC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H24F6N4O/c25-23(26,27)19-10-17(11-20(12-19)24(28,29)30)14-35-15-22(18-4-2-1-3-5-18)6-8-34(9-7-22)13-21-31-16-32-33-21/h1-5,10-12,16H,6-9,13-15H2,(H,31,32,33)
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| InChIKey |
BLCJVLIDZWMARY-UHFFFAOYSA-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