General Information of the Compound
| Compound ID |
CP0504879
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3287858
Show/Hide
|
||||||||||||||||||
| Formula |
C29H30N2O4
|
||||||||||||||||||
| Molecular Weight |
470.569
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cccc2N(CCOc12)C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30N2O4/c32-27(33)19-20-9-11-21(12-10-20)22-13-15-23(16-14-22)25-7-4-8-26-28(25)35-18-17-31(26)29(34)30-24-5-2-1-3-6-24/h1-8,13-16,20-21H,9-12,17-19H2,(H,30,34)(H,32,33)/t20-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DALSSRBLGSHFQN-MEMLXQNLSA-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