General Information of the Compound
Compound ID
CP0568900
Compound Name
3-fluoro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridin-4-amine
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Structure
Formula
C17H13FN6
Molecular Weight
320.331
Canonical SMILES
Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cccn2n1
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InChI
InChI=1S/C17H13FN6/c1-11-4-2-5-14(20-11)16-22-17(15-6-3-9-24(15)23-16)21-13-7-8-19-10-12(13)18/h2-10H,1H3,(H,19,21,22,23)
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InChIKey
SLMLHNHQKOPWPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.37742
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 135262410
ChEMBL ID
CHEMBL4205457
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.96 nM
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