General Information of the Compound
Compound ID
CP0525758
Compound Name
5-cyano-N-(4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
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Structure
Formula
C24H31N5O3
Molecular Weight
437.544
Canonical SMILES
CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)N1CCN(CCO)CC1
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InChI
InChI=1S/C24H31N5O3/c1-18-6-8-29(9-7-18)22-16-19(28-12-10-27(11-13-28)14-15-30)2-4-21(22)26-24(31)23-5-3-20(17-25)32-23/h2-5,16,18,30H,6-15H2,1H3,(H,26,31)
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InChIKey
PRJJSPJHNDTYFZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.75418
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
95.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 11685397
ChEMBL ID
CHEMBL398237
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: PT01008, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.6 nM
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