General Information of the Compound
| Compound ID |
CP0552017
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| Compound Name |
4-(3,4-dimethoxyphenyl)-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]-1,3-oxazole
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| Structure |
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| Formula |
C20H15F3N4O4
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| Molecular Weight |
432.358
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| Canonical SMILES |
COc1ccc(cc1OC)-c1coc(n1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
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| InChI |
InChI=1S/C20H15F3N4O4/c1-28-17-6-3-12(7-18(17)29-2)15-9-30-19(26-15)14-8-13(31-20(21,22)23)4-5-16(14)27-11-24-10-25-27/h3-11H,1-2H3
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| InChIKey |
BALOOAJRLWUXJH-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