General Information of the Compound
Compound ID
CP0389670
Compound Name
N,2-diphenylquinazolin-4-amine
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Structure
Formula
C20H15N3
Molecular Weight
297.361
Canonical SMILES
N(c1ccccc1)c1nc(nc2ccccc12)-c1ccccc1
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InChI
InChI=1S/C20H15N3/c1-3-9-15(10-4-1)19-22-18-14-8-7-13-17(18)20(23-19)21-16-11-5-2-6-12-16/h1-14H,(H,21,22,23)
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InChIKey
CMVDRFFMSYMSRT-UHFFFAOYSA-N
Physicochemical Property
logP
5.0404
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
37.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 698960
SID: 16609575
ChEMBL ID
CHEMBL1194993
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)  2
1
IC50 = 882 nM
   TI
   LI
   LO
   TS
2
IC50 = 2570 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 461.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Potency ~ 25929 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)  2
1
GI50 = 26000 nM
   TI
   LI
   LO
   TS
2
GI50 = 26600 nM
   TI
   LI
   LO
   TS