General Information of the Compound
| Compound ID |
CP0485090
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| Compound Name |
3-[5-(2,5-dichlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
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| Formula |
C18H13Cl2NO3
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| Molecular Weight |
362.212
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| Canonical SMILES |
OC(=O)CCc1nc(c(o1)-c1cc(Cl)ccc1Cl)-c1ccccc1
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| InChI |
InChI=1S/C18H13Cl2NO3/c19-12-6-7-14(20)13(10-12)18-17(11-4-2-1-3-5-11)21-15(24-18)8-9-16(22)23/h1-7,10H,8-9H2,(H,22,23)
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| InChIKey |
VEMCBTCUOBQROQ-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