General Information of the Compound
| Compound ID |
CP0452814
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| Compound Name |
CHEMBL3286412
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| Formula |
C32H36N2O4
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| Molecular Weight |
512.65
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| Canonical SMILES |
CC(C)C1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C32H36N2O4/c1-21(2)30-20-34(32(37)33-27-6-4-3-5-7-27)28-17-16-26(19-29(28)38-30)25-14-12-24(13-15-25)23-10-8-22(9-11-23)18-31(35)36/h3-7,12-17,19,21-23,30H,8-11,18,20H2,1-2H3,(H,33,37)(H,35,36)/t22-,23-,30?
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| InChIKey |
NUAITEJJHVVYDA-BTWCTINZSA-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