General Information of the Compound
| Compound ID |
CP0504211
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| Compound Name |
1-[[3-fluoro-5-(trifluoromethyl)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 |
C23H32F4N2
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| Molecular Weight |
412.515
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC1CCN(Cc2cc(F)cc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C23H32F4N2/c1-21(2)16-4-7-22(21,3)20(13-16)28-19-5-8-29(9-6-19)14-15-10-17(23(25,26)27)12-18(24)11-15/h10-12,16,19-20,28H,4-9,13-14H2,1-3H3/t16-,20-,22+/m1/s1
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| InChIKey |
YVFGWBFINQJJPD-CNDZOEFASA-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