General Information of the Compound
Compound ID
CP0933030
Compound Name
N-(cyclopropylmethyl)-N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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Structure
Formula
C23H22FN5O
Molecular Weight
403.461
Canonical SMILES
COc1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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InChI
InChI=1S/C23H22FN5O/c1-28-14-16(11-26-28)23-12-25-21-6-5-18(10-22(21)27-23)29(13-15-3-4-15)19-7-17(24)8-20(9-19)30-2/h5-12,14-15H,3-4,13H2,1-2H3
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InChIKey
JTUYYIYBLVNIGF-UHFFFAOYSA-N
Physicochemical Property
logP
4.7261
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
56.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 68209403
ChEMBL ID
CHEMBL3910393
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: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 12.88 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 181.97 nM
   TI
   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1412.54 nM
   TI
   LI
   LO
   TS