General Information of the Compound
| Compound ID |
CP0921852
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| Compound Name |
Lithium salt of {methyl-[(S)-3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amino}-acetate
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| Structure |
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| Formula |
C19H19F3LiNO3
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| Molecular Weight |
373.3
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| Canonical SMILES |
CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)[O-].[Li+]
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| InChI |
InChI=1S/C19H20F3NO3.Li/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22;/h2-10,17H,11-13H2,1H3,(H,24,25);/q;+1/p-1/t17-;/m0./s1
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| InChIKey |
VMQXVSNARQMSDL-LMOVPXPDSA-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