General Information of the Compound
| Compound ID |
CP0077468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(3-bromophenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12BrN5
|
||||||||||||||||||
| Molecular Weight |
354.211
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Nc2cccc(Br)c2)c2c(n1)[nH]c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12BrN5/c17-9-4-3-5-10(8-9)19-14-13-11-6-1-2-7-12(11)20-15(13)22-16(18)21-14/h1-8H,(H4,18,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOUNTOCKLNSANP-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