General Information of the Compound
Compound ID
CP0384736
Compound Name
N-(2-fluorophenyl)-2-morpholin-4-ylquinazolin-4-amine
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Structure
Formula
C18H17FN4O
Molecular Weight
324.359
Canonical SMILES
Fc1ccccc1Nc1nc(nc2ccccc12)N1CCOCC1
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InChI
InChI=1S/C18H17FN4O/c19-14-6-2-4-8-16(14)20-17-13-5-1-3-7-15(13)21-18(22-17)23-9-11-24-12-10-23/h1-8H,9-12H2,(H,20,21,22)
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InChIKey
FYXZAURJGGSORR-UHFFFAOYSA-N
Physicochemical Property
logP
3.3491
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
50.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 122187403
ChEMBL ID
CHEMBL3609175
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 184.33 nM
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