General Information of the Compound
| Compound ID |
CP0798312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Chloro-3-{[3-(diethylamino)propyl]amino}naphthalene-1,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21ClN2O2
|
||||||||||||||||||
| Molecular Weight |
320.82
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCCNC1=C(Cl)C(=O)c2ccccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21ClN2O2/c1-3-20(4-2)11-7-10-19-15-14(18)16(21)12-8-5-6-9-13(12)17(15)22/h5-6,8-9,19H,3-4,7,10-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWCXWRNANHZFAU-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: PT06033, Microphthalmia-associated transcription factor