General Information of the Compound
| Compound ID |
CP0389400
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| Compound Name |
CHEMBL3287877
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| Formula |
C32H36N2O4
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| Molecular Weight |
512.65
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| Canonical SMILES |
CC(C)c1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C32H36N2O4/c1-21(2)27-5-3-4-6-28(27)33-32(37)34-17-18-38-30-20-26(15-16-29(30)34)25-13-11-24(12-14-25)23-9-7-22(8-10-23)19-31(35)36/h3-6,11-16,20-23H,7-10,17-19H2,1-2H3,(H,33,37)(H,35,36)/t22-,23-
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| InChIKey |
QQHQGTVGKYVFJT-YHBQERECSA-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