General Information of the Compound
| Compound ID |
CP0410020
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| Compound Name |
CHEMBL3287885
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| Formula |
C30H32N2O4
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| Molecular Weight |
484.596
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| Canonical SMILES |
CC([C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C30H32N2O4/c1-20(29(33)34)21-7-9-22(10-8-21)23-11-13-24(14-12-23)25-15-16-27-28(19-25)36-18-17-32(27)30(35)31-26-5-3-2-4-6-26/h2-6,11-16,19-22H,7-10,17-18H2,1H3,(H,31,35)(H,33,34)/t20?,21-,22-
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| InChIKey |
DTPLMXBHQILBDN-JTKSQVOZSA-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