General Information of the Compound
| Compound ID |
CP0137245
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(2-hydroxyethyl)amino]ethan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22BrN5O2
|
||||||||||||||||||
| Molecular Weight |
456.344
|
||||||||||||||||||
| Canonical SMILES |
OCCN(CCO)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22BrN5O2/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27(4-6-28)5-7-29)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23,28-29H,4-7,12H2,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSXILVFPMQVTSK-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