General Information of the Compound
| Compound ID |
CP0948512
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(6-bromo-9H-pyrido[2,3-b]indol-4-ylamino)phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12BrN3O
|
||||||||||||||||||
| Molecular Weight |
354.207
|
||||||||||||||||||
| Canonical SMILES |
Oc1cccc(Nc2ccnc3[nH]c4ccc(Br)cc4c23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12BrN3O/c18-10-4-5-14-13(8-10)16-15(6-7-19-17(16)21-14)20-11-2-1-3-12(22)9-11/h1-9,22H,(H2,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJADPSQLSXMRRG-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