General Information of the Compound
Compound ID
CP0195835
Compound Name
4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide
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Structure
Formula
C14H14N6O
Molecular Weight
282.307
Canonical SMILES
Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1
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InChI
InChI=1S/C14H14N6O/c1-7-5-9-12(17-8(2)18-13(9)15)10(6-7)14(21)19-11-3-4-16-20-11/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)
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InChIKey
ICOTWOFYQBMZHO-UHFFFAOYSA-N
Physicochemical Property
logP
1.80424
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
109.58
Hydrogen Bond Donor Count
3
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: 51003483
SID: 117686738
ChEMBL ID
CHEMBL1668266
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000457 BT-20 Homo sapiens (Human)  1
1
IC50 = 35 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7 nM