General Information of the Compound
| Compound ID |
CP0533414
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| Compound Name |
2-[1-[4-[5-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]pyridin-2-yl]phenyl]piperidin-4-yl]acetic acid
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| Structure |
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| Formula |
C23H27N5O3
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| Molecular Weight |
421.501
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| Canonical SMILES |
CC(C)c1nnc(Nc2ccc(nc2)-c2ccc(cc2)N2CCC(CC(O)=O)CC2)o1
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| InChI |
InChI=1S/C23H27N5O3/c1-15(2)22-26-27-23(31-22)25-18-5-8-20(24-14-18)17-3-6-19(7-4-17)28-11-9-16(10-12-28)13-21(29)30/h3-8,14-16H,9-13H2,1-2H3,(H,25,27)(H,29,30)
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| InChIKey |
WKEOEHFGLXNEKY-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