General Information of the Compound
| Compound ID |
CP0400746
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| Compound Name |
CHEMBL3287860
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| Formula |
C28H29N3O4
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| Molecular Weight |
471.557
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cnc2N(CCOc2c1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C28H29N3O4/c32-26(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-17-25-27(29-18-23)31(14-15-35-25)28(34)30-24-4-2-1-3-5-24/h1-5,10-13,17-20H,6-9,14-16H2,(H,30,34)(H,32,33)/t19-,20-
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| InChIKey |
WMJIXCOMDRUNPL-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