General Information of the Compound
| Compound ID |
CP0423558
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| Compound Name |
3-[5-(3,5-ditert-butylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
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| Formula |
C26H31NO3
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| Molecular Weight |
405.538
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1oc(CCC(O)=O)nc1-c1ccccc1
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| InChI |
InChI=1S/C26H31NO3/c1-25(2,3)19-14-18(15-20(16-19)26(4,5)6)24-23(17-10-8-7-9-11-17)27-21(30-24)12-13-22(28)29/h7-11,14-16H,12-13H2,1-6H3,(H,28,29)
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| InChIKey |
XNQOHHNGUXKESF-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