General Information of the Compound
| Compound ID |
CP0947433
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| Compound Name |
Lithium salt of {[3-(4-methoxy-phenyl)-3-(4-trifluoromethyl-phenoxy)-propyl]-methyl-amino}-acetate
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| Structure |
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| Formula |
C20H21F3LiNO4
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| Molecular Weight |
403.326
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| Canonical SMILES |
COc1ccc(C(CCN(C)CC(=O)[O-])Oc2ccc(C(F)(F)F)cc2)cc1.[Li+]
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| InChI |
InChI=1S/C20H22F3NO4.Li/c1-24(13-19(25)26)12-11-18(14-3-7-16(27-2)8-4-14)28-17-9-5-15(6-10-17)20(21,22)23;/h3-10,18H,11-13H2,1-2H3,(H,25,26);/q;+1/p-1
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| InChIKey |
IRFHPYOPMPPPEO-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