General Information of the Compound
| Compound ID |
CP0010269
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS001211083
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N2O2
|
||||||||||||||||||
| Molecular Weight |
362.473
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)NC(c1ccc(cc1)C(C)C)c1ccc2cccnc2c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N2O2/c1-4-6-20(26)25-21(18-10-8-16(9-11-18)15(2)3)19-13-12-17-7-5-14-24-22(17)23(19)27/h5,7-15,21,27H,4,6H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWDWJZPBQFCTAQ-UHFFFAOYSA-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: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8