General Information of the Compound
| Compound ID |
CP0542198
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| Compound Name |
CHEMBL3287882
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| Formula |
C33H38N2O4
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| Molecular Weight |
526.677
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)NCCCCc1ccccc1
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| InChI |
InChI=1S/C33H38N2O4/c36-32(37)22-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-18-30-31(23-29)39-21-20-35(30)33(38)34-19-5-4-8-24-6-2-1-3-7-24/h1-3,6-7,13-18,23,25-26H,4-5,8-12,19-22H2,(H,34,38)(H,36,37)/t25-,26-
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| InChIKey |
DZVSFDYALKWTCF-DIVCQZSQSA-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