General Information of the Compound
| Compound ID |
CP0074742
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| Compound Name |
3-{(5S)-5-[(4-tert-butylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl}benzonitrile
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| Synonyms |
BDBM50318313
GTPL6321
PMID20409708C34
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| Structure |
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| Formula |
C21H22N2O3
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| Molecular Weight |
350.418
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| Canonical SMILES |
CC(C)(C)c1ccc(OC[C@@H]2CN(C(=O)O2)c2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C21H22N2O3/c1-21(2,3)16-7-9-18(10-8-16)25-14-19-13-23(20(24)26-19)17-6-4-5-15(11-17)12-22/h4-11,19H,13-14H2,1-3H3/t19-/m0/s1
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| InChIKey |
YFJUDGZIRPWFBS-IBGZPJMESA-N
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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
Clinical Information about the Compound