General Information of the Compound
| Compound ID |
CP0384705
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| Compound Name |
1-[[3-(trifluoromethoxy)phenyl]methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
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| Structure |
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| Formula |
C23H33F3N2O
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| Molecular Weight |
410.524
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C23H33F3N2O/c1-21(2)17-7-10-22(21,3)20(14-17)27-18-8-11-28(12-9-18)15-16-5-4-6-19(13-16)29-23(24,25)26/h4-6,13,17-18,20,27H,7-12,14-15H2,1-3H3/t17-,20-,22+/m1/s1
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| InChIKey |
XTBSOTFVSMTFAI-ZNLUXHQJSA-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