General Information of the Compound
Compound ID
CP0575546
Compound Name
N-[3-[[2-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
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Structure
Formula
C22H19N5O2
Molecular Weight
385.427
Canonical SMILES
COc1cccc(c1)-c1nc(Nc2cccc(NC(C)=O)c2)c2cccnc2n1
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InChI
InChI=1S/C22H19N5O2/c1-14(28)24-16-7-4-8-17(13-16)25-22-19-10-5-11-23-21(19)26-20(27-22)15-6-3-9-18(12-15)29-2/h3-13H,1-2H3,(H,24,28)(H,23,25,26,27)
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InChIKey
RHZGASIIAZAERO-UHFFFAOYSA-N
Physicochemical Property
logP
4.4024
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
89.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 137659047
ChEMBL ID
CHEMBL4099262
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 = 6400 nM
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