General Information of the Compound
Compound ID
CP0580042
Compound Name
(1S)-1-[4-ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
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Structure
Formula
C19H24N4O2
Molecular Weight
340.427
Canonical SMILES
CCc1nc(nc2cc(OC)c(cc12)-c1cnco1)[C@@H](N)CC(C)C
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InChI
InChI=1S/C19H24N4O2/c1-5-15-12-7-13(18-9-21-10-25-18)17(24-4)8-16(12)23-19(22-15)14(20)6-11(2)3/h7-11,14H,5-6,20H2,1-4H3/t14-/m0/s1
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InChIKey
HJFMOJJCYFCTLU-AWEZNQCLSA-N
Physicochemical Property
logP
3.9017
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
87.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 168292121
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: PT02182, AP2-associated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 34 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12 nM