General Information of the Compound
| Compound ID |
CP0389395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3287879
Show/Hide
|
||||||||||||||||||
| Formula |
C30H30N2O6
|
||||||||||||||||||
| Molecular Weight |
514.578
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30N2O6/c33-28(34)17-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-14-26-27(18-23)38-16-15-32(26)30(37)31-25-4-2-1-3-24(25)29(35)36/h1-4,9-14,18-20H,5-8,15-17H2,(H,31,37)(H,33,34)(H,35,36)/t19-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMJBMVLHARZAQI-MXVIHJGJSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1