General Information of the Compound
| Compound ID |
CP0411042
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| Compound Name |
2-[4-[4-[5-[(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)amino]pyridin-2-yl]phenyl]-2-oxabicyclo[2.2.2]octan-1-yl]acetic acid
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| Structure |
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| Formula |
C27H29N3O5
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| Molecular Weight |
475.545
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| Canonical SMILES |
CCc1nc(C)c(o1)C(=O)Nc1ccc(nc1)-c1ccc(cc1)C12CCC(CC(O)=O)(CC1)OC2
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| InChI |
InChI=1S/C27H29N3O5/c1-3-22-29-17(2)24(35-22)25(33)30-20-8-9-21(28-15-20)18-4-6-19(7-5-18)26-10-12-27(13-11-26,34-16-26)14-23(31)32/h4-9,15H,3,10-14,16H2,1-2H3,(H,30,33)(H,31,32)
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| InChIKey |
UFIKUWNNXLDUCS-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: PT02560, Diacylglycerol O-acyltransferase 1
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1