General Information of the Compound
| Compound ID |
CP0522588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-4-N-(4-propan-2-ylphenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClN5
|
||||||||||||||||||
| Molecular Weight |
351.841
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClN5/c1-10(2)11-6-8-12(9-7-11)22-17-16-15-13(20)4-3-5-14(15)23-18(16)25-19(21)24-17/h3-10H,1-2H3,(H4,21,22,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVJIXQFNEQVNDC-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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2