General Information of the Compound
| Compound ID |
CP0011400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS001211315
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N2O2
|
||||||||||||||||||
| Molecular Weight |
334.419
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)C(NC(C)=O)c1ccc2cccnc2c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O2/c1-13(2)15-6-8-17(9-7-15)19(23-14(3)24)18-11-10-16-5-4-12-22-20(16)21(18)25/h4-13,19,25H,1-3H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWQWZIWMSWUMLW-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: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8