General Information of the Compound
| Compound ID |
CP0304717
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H10ClN3O2
|
||||||||||||||||||
| Molecular Weight |
323.739
|
||||||||||||||||||
| Canonical SMILES |
ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYOUWELKHWCYQM-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
22295-47-2
|
||||||||||||||||||
| 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: PT06172, Mothers against decapentaplegic homolog 3