General Information of the Compound
Compound ID
CP0527267
Compound Name
US9266883, 10
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Structure
Formula
C16H12ClN5O2
Molecular Weight
341.758
Canonical SMILES
Clc1cc2CCCN(C(=O)Nc3ccc(cn3)C#N)c2nc1C=O
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InChI
InChI=1S/C16H12ClN5O2/c17-12-6-11-2-1-5-22(15(11)20-13(12)9-23)16(24)21-14-4-3-10(7-18)8-19-14/h3-4,6,8-9H,1-2,5H2,(H,19,21,24)
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InChIKey
OAEJXGBYNDWUDJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.79888
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
98.98
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: 118036595
ChEMBL ID
CHEMBL3969343
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: PT01343, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
Protein ID: PT07029, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 317 nM
   TI
   LI
   LO
   TS
2
IC50 = 537 nM
   TI
   LI
   LO
   TS