General Information of the Compound
Compound ID
CP0941759
Compound Name
US9187424, 156
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Structure
Formula
C25H23F6N5O2
Molecular Weight
539.48
Canonical SMILES
Cc1ccc(C2=C(c3nnn[nH]3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c(C)c1
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InChI
InChI=1S/C25H23F6N5O2/c1-14-4-9-18(15(2)12-14)19-13-23(25(29,30)31,32-22(37)20(19)21-33-35-36-34-21)16-5-7-17(8-6-16)38-11-3-10-24(26,27)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,32,37)(H,33,34,35,36)
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InChIKey
VPGDLLFIIAMKOB-UHFFFAOYSA-N
Physicochemical Property
logP
5.42634
Rotatable Bonds
7
Heavy Atom Count
38
Polar Areas
92.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
38

"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: 122362782
ChEMBL ID
CHEMBL3940319
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: PT03938, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 254 nM
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