General Information of the Compound
| Compound ID |
CP0389397
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| Compound Name |
CHEMBL3287884
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| Formula |
C30H40N2O4
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| Molecular Weight |
492.66
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| Canonical SMILES |
CCCCCCCNC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C30H40N2O4/c1-2-3-4-5-6-17-31-30(35)32-18-19-36-28-21-26(15-16-27(28)32)25-13-11-24(12-14-25)23-9-7-22(8-10-23)20-29(33)34/h11-16,21-23H,2-10,17-20H2,1H3,(H,31,35)(H,33,34)/t22-,23-
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| InChIKey |
NGNUMTIXMPRBAL-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