General Information of the Compound
| Compound ID |
CP0110466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-Bromophenyl)-6-methoxy-1H-pyrimido[4,5-b]indole-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13BrN4O
|
||||||||||||||||||
| Molecular Weight |
369.222
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]c3ncnc(Nc4cccc(Br)c4)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13BrN4O/c1-23-12-5-6-14-13(8-12)15-16(19-9-20-17(15)22-14)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGDCJUNSPFHRTH-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