General Information of the Compound
| Compound ID |
CP0391157
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| Compound Name |
2-[4-[4-[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]phenyl]phenyl]-2-oxabicyclo[2.2.2]octan-1-yl]acetic acid
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| Structure |
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| Formula |
C27H29N3O4
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| Molecular Weight |
459.546
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| Canonical SMILES |
OC(=O)CC12CCC(CC1)(CO2)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cc1
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| InChI |
InChI=1S/C27H29N3O4/c31-23(32)16-27-14-12-26(13-15-27,17-33-27)21-8-4-18(5-9-21)19-6-10-22(11-7-19)28-25-30-29-24(34-25)20-2-1-3-20/h4-11,20H,1-3,12-17H2,(H,28,30)(H,31,32)
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| InChIKey |
IGLDKUZNVAQKJM-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