General Information of the Compound
Compound ID
CP0496236
Compound Name
8-[(3-Bromophenyl)amino]thiazolo[5,4-g]quinazoline
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Structure
Formula
C15H9BrN4S
Molecular Weight
357.236
Canonical SMILES
Brc1cccc(Nc2ncnc3cc4ncsc4cc23)c1
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InChI
InChI=1S/C15H9BrN4S/c16-9-2-1-3-10(4-9)20-15-11-5-14-13(19-8-21-14)6-12(11)17-7-18-15/h1-8H,(H,17,18,20)
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InChIKey
IRGSEHJOWJXKPV-UHFFFAOYSA-N
Physicochemical Property
logP
4.7456
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 5328240
SID: 15598332
ChEMBL ID
CHEMBL177053
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 = 44 nM
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