General Information of the Compound
| Compound ID |
CP0479802
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| Compound Name |
4-[5-(3,5-ditert-butylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1nc(no1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H26N2O3/c1-22(2,3)17-11-16(12-18(13-17)23(4,5)6)20-24-19(25-28-20)14-7-9-15(10-8-14)21(26)27/h7-13H,1-6H3,(H,26,27)
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| InChIKey |
JWKZWINZDQTXSF-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: PT01621, Retinoic acid receptor alpha
Protein ID: PT02120, Retinoic acid receptor beta
Protein ID: PT02121, Retinoic acid receptor gamma