General Information of the Compound
| Compound ID |
CP0410015
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| Compound Name |
CHEMBL3287872
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| Formula |
C29H28N2O4
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| Molecular Weight |
468.553
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)c1nc2ccccc2o1
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| InChI |
InChI=1S/C29H28N2O4/c32-28(33)17-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-14-25-27(18-23)34-16-15-31(25)29-30-24-3-1-2-4-26(24)35-29/h1-4,9-14,18-20H,5-8,15-17H2,(H,32,33)/t19-,20-
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| InChIKey |
SIKGBQSGSOEPGB-MXVIHJGJSA-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: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1