General Information of the Compound
Compound ID
CP0035060
Compound Name
6-bromo-N-prop-2-enylquinazolin-4-amine
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Structure
Formula
C11H10BrN3
Molecular Weight
264.126
Canonical SMILES
Brc1ccc2ncnc(NCC=C)c2c1
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InChI
InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
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InChIKey
BCPOLXUSCUFDGE-UHFFFAOYSA-N
Physicochemical Property
logP
2.9902
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
37.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 1560402
SID: 49653378
ChEMBL ID
CHEMBL494325
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: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 23280.9 nM
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