General Information of the Compound
Compound ID
CP0567255
Compound Name
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
    Show/Hide
Structure
Formula
C20H15BrN4O
Molecular Weight
407.271
Canonical SMILES
COc1cccc(c1)-c1nc(Nc2cccc(Br)c2)c2cccnc2n1
    Show/Hide
InChI
InChI=1S/C20H15BrN4O/c1-26-16-8-2-5-13(11-16)18-24-19-17(9-4-10-22-19)20(25-18)23-15-7-3-6-14(21)12-15/h2-12H,1H3,(H,22,23,24,25)
    Show/Hide
InChIKey
YJOGXNYTXVVLPR-UHFFFAOYSA-N
Physicochemical Property
logP
5.2065
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
59.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137655783
ChEMBL ID
CHEMBL4091514
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)  1
1
IC50 = 1530 nM
   TI
   LI
   LO
   TS