General Information of the Compound
Compound ID
CP0569191
Compound Name
N-[3-[(2-phenylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
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Structure
Formula
C21H17N5O
Molecular Weight
355.401
Canonical SMILES
CC(=O)Nc1cccc(Nc2nc(nc3ncccc23)-c2ccccc2)c1
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InChI
InChI=1S/C21H17N5O/c1-14(27)23-16-9-5-10-17(13-16)24-21-18-11-6-12-22-20(18)25-19(26-21)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,27)(H,22,24,25,26)
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InChIKey
HLNOEIZQSMYUEH-UHFFFAOYSA-N
Physicochemical Property
logP
4.3938
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
79.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 137655818
ChEMBL ID
CHEMBL4092472
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 = 5270 nM
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