General Information of the Compound
| Compound ID |
CP0932154
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| Compound Name |
Lithium salt of 4-{methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amino}-butyrate
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| Structure |
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| Formula |
C21H23F3LiNO3
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| Molecular Weight |
401.354
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| Canonical SMILES |
CN(CCCC(=O)[O-])CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.[Li+]
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| InChI |
InChI=1S/C21H24F3NO3.Li/c1-25(14-5-8-20(26)27)15-13-19(16-6-3-2-4-7-16)28-18-11-9-17(10-12-18)21(22,23)24;/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,26,27);/q;+1/p-1
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| InChIKey |
JLORYPICPVMXIE-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