General Information of the Compound
| Compound ID |
CP0435525
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| Compound Name |
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 4-(trifluoromethyl)benzoate
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| Structure |
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| Formula |
C19H19ClF3NO2
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| Molecular Weight |
385.813
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| Canonical SMILES |
CN(C)CCC(OC(=O)c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H19ClF3NO2/c1-24(2)12-11-17(13-5-9-16(20)10-6-13)26-18(25)14-3-7-15(8-4-14)19(21,22)23/h3-10,17H,11-12H2,1-2H3
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| InChIKey |
YHRSEUQZWUCVBE-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