General Information of the Compound
Compound ID
CP0568917
Compound Name
N-(3-fluorophenyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
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Structure
Formula
C18H12FN5
Molecular Weight
317.327
Canonical SMILES
Fc1cccc(Nc2nc(nc3ncccc23)-c2cccnc2)c1
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InChI
InChI=1S/C18H12FN5/c19-13-5-1-6-14(10-13)22-18-15-7-3-9-21-17(15)23-16(24-18)12-4-2-8-20-11-12/h1-11H,(H,21,22,23,24)
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InChIKey
OWTAHAHHZYKFEQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9695
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
63.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 137645106
ChEMBL ID
CHEMBL4082782
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 = 1230 nM
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