General Information of the Compound
| Compound ID |
CP0459254
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| Compound Name |
2-[4-[4-[5-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)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 |
C26H28N4O4
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| Molecular Weight |
460.534
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| Canonical SMILES |
OC(=O)CC12CCC(CC1)(CO2)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cn1
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| InChI |
InChI=1S/C26H28N4O4/c31-22(32)14-26-12-10-25(11-13-26,16-33-26)19-6-4-17(5-7-19)21-9-8-20(15-27-21)28-24-30-29-23(34-24)18-2-1-3-18/h4-9,15,18H,1-3,10-14,16H2,(H,28,30)(H,31,32)
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| InChIKey |
CQDYBKWJJPPSNB-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