General Information of the Compound
Compound ID
CP0527269
Compound Name
US9266883, 29
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Structure
Formula
C19H17N5O2
Molecular Weight
347.378
Canonical SMILES
O=Cc1nc2N(CCCc2cc1C1CC1)C(=O)Nc1ccc(cn1)C#N
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InChI
InChI=1S/C19H17N5O2/c20-9-12-3-6-17(21-10-12)23-19(26)24-7-1-2-14-8-15(13-4-5-13)16(11-25)22-18(14)24/h3,6,8,10-11,13H,1-2,4-5,7H2,(H,21,23,26)
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InChIKey
IPZPDDMTAVNRHG-UHFFFAOYSA-N
Physicochemical Property
logP
3.02288
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
98.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 118036904
ChEMBL ID
CHEMBL3957240
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 = 20 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 = 126 nM
   TI
   LI
   LO
   TS
2
IC50 = 317 nM
   TI
   LI
   LO
   TS