General Information of the Compound
Compound ID
CP0568915
Compound Name
4-[[2-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]phenol
    Show/Hide
Structure
Formula
C20H16N4O2
Molecular Weight
344.374
Canonical SMILES
COc1cccc(c1)-c1nc(Nc2ccc(O)cc2)c2cccnc2n1
    Show/Hide
InChI
InChI=1S/C20H16N4O2/c1-26-16-5-2-4-13(12-16)18-23-19-17(6-3-11-21-19)20(24-18)22-14-7-9-15(25)10-8-14/h2-12,25H,1H3,(H,21,22,23,24)
    Show/Hide
InChIKey
BUDGFSHXCGLJRQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1496
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
80.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 137661038
ChEMBL ID
CHEMBL4101737
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 = 1300 nM
   TI
   LI
   LO
   TS