General Information of the Compound
Compound ID
CP0290384
Compound Name
9-[(3-Bromophenyl)amino]-1H-imidazo[4,5-f]quinazoline
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Structure
Formula
C15H10BrN5
Molecular Weight
340.184
Canonical SMILES
Brc1cccc(Nc2ncnc3ccc4[nH]cnc4c23)c1
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InChI
InChI=1S/C15H10BrN5/c16-9-2-1-3-10(6-9)21-15-13-11(17-8-20-15)4-5-12-14(13)19-7-18-12/h1-8H,(H,18,19)(H,17,20,21)
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InChIKey
ZCTBHAZSEIICRJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0122
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
66.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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).

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PubChem ID
CID: 5328238
SID: 15722224
ChEMBL ID
CHEMBL153170
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 29 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 29 nM