General Information of the Compound
Compound ID
CP0389950
Compound Name
N-(3-fluorophenyl)-2-phenylquinazolin-4-amine
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Structure
Formula
C20H14FN3
Molecular Weight
315.351
Canonical SMILES
Fc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
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InChI
InChI=1S/C20H14FN3/c21-15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24)
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InChIKey
SGELDHPAIUSXOY-UHFFFAOYSA-N
Physicochemical Property
logP
5.1795
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
37.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 16092357
SID: 24738573
ChEMBL ID
CHEMBL4085567
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  3
1
IC50 = 355 nM
   TI
   LI
   LO
   TS
2
IC50 = 363 nM
   TI
   LI
   LO
   TS
3
IC50 = 405 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  1
1
GI50 = 27500 nM
   TI
   LI
   LO
   TS