General Information of the Compound
| Compound ID |
CP0420990
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| Compound Name |
4-[5-(4,7-dimethyl-1,3-benzoxazol-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
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| Structure |
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| Formula |
C18H13N3O4
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| Molecular Weight |
335.319
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| Canonical SMILES |
Cc1ccc(C)c2oc(nc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C18H13N3O4/c1-9-3-4-10(2)14-13(9)19-16(24-14)17-20-15(21-25-17)11-5-7-12(8-6-11)18(22)23/h3-8H,1-2H3,(H,22,23)
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| InChIKey |
VKSMQHIHCUMOQU-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