General Information of the Compound
| Compound ID |
CP0436741
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| Compound Name |
3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
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| Structure |
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| Formula |
C37H24Cl3NO4
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| Molecular Weight |
652.961
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| Canonical SMILES |
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc(cc3)-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1
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| InChI |
InChI=1S/C37H24Cl3NO4/c38-31-10-5-11-32(39)34(31)35-30(36(45-41-35)27-16-14-25(15-17-27)24-7-2-1-3-8-24)22-44-29-19-18-26(33(40)21-29)13-12-23-6-4-9-28(20-23)37(42)43/h1-21H,22H2,(H,42,43)/b13-12+
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| InChIKey |
UPQFDICVBVVYGX-OUKQBFOZSA-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