General Information of the Compound
| Compound ID |
CP0880887
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| Compound Name |
Lithium salt of {[(R)-3-(4-tert-butyl-phenoxy)-3-phenyl-propyl]-methyl-amino}-acetate
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| Structure |
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| Formula |
C22H28LiNO3
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| Molecular Weight |
361.411
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| Canonical SMILES |
CN(CC[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccccc1)CC(=O)[O-].[Li+]
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| InChI |
InChI=1S/C22H29NO3.Li/c1-22(2,3)18-10-12-19(13-11-18)26-20(17-8-6-5-7-9-17)14-15-23(4)16-21(24)25;/h5-13,20H,14-16H2,1-4H3,(H,24,25);/q;+1/p-1/t20-;/m1./s1
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| InChIKey |
DKFHDHQXLFAWSJ-VEIFNGETSA-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