General Information of the Compound
Compound ID
CP0967707
Compound Name
N-(cyclopropylmethyl)-N-(3,4-dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
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Structure
Formula
C24H25N5O2
Molecular Weight
415.497
Canonical SMILES
COc1ccc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc1OC
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InChI
InChI=1S/C24H25N5O2/c1-28-15-17(12-26-28)22-13-25-20-8-6-18(10-21(20)27-22)29(14-16-4-5-16)19-7-9-23(30-2)24(11-19)31-3/h6-13,15-16H,4-5,14H2,1-3H3
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InChIKey
UCMYIQNQXGENJC-UHFFFAOYSA-N
Physicochemical Property
logP
4.5956
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
65.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 68209417
ChEMBL ID
CHEMBL3913051
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 = 616.6 nM
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