General Information of the Compound
Compound ID
CP0565802
Compound Name
US9266883, 256
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Structure
Formula
C24H23N7O3
Molecular Weight
457.494
Canonical SMILES
COCCNc1cc(NC(=O)N2CCCc3cc(-c4cccnc4)c(C=O)nc23)ncc1C#N
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InChI
InChI=1S/C24H23N7O3/c1-34-9-7-27-20-11-22(28-14-18(20)12-25)30-24(33)31-8-3-5-16-10-19(17-4-2-6-26-13-17)21(15-32)29-23(16)31/h2,4,6,10-11,13-15H,3,5,7-9H2,1H3,(H2,27,28,30,33)
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InChIKey
VIZHAMYZMYCFRR-UHFFFAOYSA-N
Physicochemical Property
logP
3.26578
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
133.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
34

"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: 118037019
ChEMBL ID
CHEMBL3904341
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 = 14 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)  1
1
IC50 = 28 nM
   TI
   LI
   LO
   TS