General Information of the Compound
| Compound ID |
CP0930836
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| Compound Name |
Lithium salt of {[3-(4-methanesulfonyl-phenoxy)-3-phenyl-propyl]-methyl-amino}-acetate
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| Structure |
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| Formula |
C19H22LiNO5S
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| Molecular Weight |
383.395
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| Canonical SMILES |
CN(CCC(Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1)CC(=O)[O-].[Li+]
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| InChI |
InChI=1S/C19H23NO5S.Li/c1-20(14-19(21)22)13-12-18(15-6-4-3-5-7-15)25-16-8-10-17(11-9-16)26(2,23)24;/h3-11,18H,12-14H2,1-2H3,(H,21,22);/q;+1/p-1
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| InChIKey |
CMYJRYQRQJNQPV-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