General Information of the Compound
| Compound ID |
CP0364967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8470841, 17
Show/Hide
|
||||||||||||||||||
| Formula |
C21H26N2O5
|
||||||||||||||||||
| Molecular Weight |
386.448
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O5/c1-16(24)22-11-5-8-21-26-14-19(15-27-21)28-20-10-9-18(12-23-20)25-13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,19,21H,5,8,11,13-15H2,1H3,(H,22,24)/t19-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWCJEMIHSBXCCO-XUTJKUGGSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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: PT04130, Acetyl-CoA carboxylase 1
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2