General Information of the Compound
| Compound ID |
CP0571865
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| Compound Name |
3-chloro-2-(2-chloroethoxy)-5-[2-[4-[(2-chloro-1,3-oxazol-5-yl)methoxy]phenyl]propan-2-yl]benzonitrile
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| Structure |
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| Formula |
C22H19Cl3N2O3
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| Molecular Weight |
465.764
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| Canonical SMILES |
CC(C)(c1ccc(OCc2cnc(Cl)o2)cc1)c1cc(Cl)c(OCCCl)c(c1)C#N
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| InChI |
InChI=1S/C22H19Cl3N2O3/c1-22(2,16-9-14(11-26)20(19(24)10-16)28-8-7-23)15-3-5-17(6-4-15)29-13-18-12-27-21(25)30-18/h3-6,9-10,12H,7-8,13H2,1-2H3
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| InChIKey |
SDJCDBPBBCCDHP-UHFFFAOYSA-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