General Information of the Compound
| Compound ID |
CP0451068
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| Compound Name |
3-[4,5-bis(3,5-dichlorophenyl)-1,3-oxazol-2-yl]propanoic acid
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| Formula |
C18H11Cl4NO3
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| Molecular Weight |
431.102
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| Canonical SMILES |
OC(=O)CCc1nc(c(o1)-c1cc(Cl)cc(Cl)c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C18H11Cl4NO3/c19-11-3-9(4-12(20)7-11)17-18(10-5-13(21)8-14(22)6-10)26-15(23-17)1-2-16(24)25/h3-8H,1-2H2,(H,24,25)
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| InChIKey |
HTIDXJZACIITNE-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
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma