General Information of the Compound
| Compound ID |
CP0389534
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Oxyquinoline, D3, #6
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O4
|
||||||||||||||||||
| Molecular Weight |
379.416
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(=O)NC(c1cccc(c1)N(=O)=O)c1ccc2cccnc2c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O4/c1-2-3-9-18(25)23-19(15-6-4-8-16(13-15)24(27)28)17-11-10-14-7-5-12-22-20(14)21(17)26/h4-8,10-13,19,26H,2-3,9H2,1H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKZCVITWOLNCTJ-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1