General Information of the Compound
| Compound ID |
CP0454923
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| Compound Name |
dimethyl-(oxan-4-yl)-[[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]azanium
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| Structure |
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| Formula |
C22H26F3N2O2+
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| Molecular Weight |
407.456
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1)C1CCOCC1
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| InChI |
InChI=1S/C22H25F3N2O2/c1-27(2,20-10-12-29-13-11-20)15-16-6-8-19(9-7-16)26-21(28)17-4-3-5-18(14-17)22(23,24)25/h3-9,14,20H,10-13,15H2,1-2H3/p+1
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| InChIKey |
HLTFREXRHSGZIS-UHFFFAOYSA-O
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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