General Information of the Compound
Compound ID
CP0529987
Compound Name
2-naphthalen-2-yl-N-[4-(trifluoromethyl)pyridin-2-yl]acetamide
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Structure
Formula
C18H13F3N2O
Molecular Weight
330.309
Canonical SMILES
FC(F)(F)c1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
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InChI
InChI=1S/C18H13F3N2O/c19-18(20,21)15-7-8-22-16(11-15)23-17(24)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10H2,(H,22,23,24)
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InChIKey
OUFMFINGKOBABM-UHFFFAOYSA-N
Physicochemical Property
logP
4.4348
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 146131828
ChEMBL ID
CHEMBL4777902
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: PT01157, Serine/threonine-protein kinase RIO2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7500 nM
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