General Information of the Compound
| Compound ID |
CP0875649
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| Compound Name |
Lithium salt of {[3-(4-chloro-3-trifluoromethyl-phenoxy)-3-phenyl-propyl]-methyl-amino}-acetate
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| Structure |
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| Formula |
C19H18ClF3LiNO3
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| Molecular Weight |
407.745
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| Canonical SMILES |
CN(CCC(Oc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)CC(=O)[O-].[Li+]
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| InChI |
InChI=1S/C19H19ClF3NO3.Li/c1-24(12-18(25)26)10-9-17(13-5-3-2-4-6-13)27-14-7-8-16(20)15(11-14)19(21,22)23;/h2-8,11,17H,9-10,12H2,1H3,(H,25,26);/q;+1/p-1
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| InChIKey |
KRQORCADVGFMRT-UHFFFAOYSA-M
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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