General Information of the Compound
| Compound ID |
CP0636748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
indigo
Show/Hide
|
||||||||||||||||||
| Formula |
C16H10N2O2
|
||||||||||||||||||
| Molecular Weight |
262.268
|
||||||||||||||||||
| Canonical SMILES |
O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
COHYTHOBJLSHDF-BUHFOSPRSA-N
|
||||||||||||||||||
| CAS |
12000-74-7
12626-73-2
93660-98-1
68651-46-7
11129-41-2
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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