General Information of the Compound
Compound ID
CP0577592
Compound Name
N-[4-(benzimidazol-1-yl)pyridin-2-yl]cyclopropanecarboxamide
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Structure
Formula
C16H14N4O
Molecular Weight
278.315
Canonical SMILES
O=C(Nc1cc(ccn1)-n1cnc2ccccc12)C1CC1
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InChI
InChI=1S/C16H14N4O/c21-16(11-5-6-11)19-15-9-12(7-8-17-15)20-10-18-13-3-1-2-4-14(13)20/h1-4,7-11H,5-6H2,(H,17,19,21)
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InChIKey
ROEAKEYECDRZLY-UHFFFAOYSA-N
Physicochemical Property
logP
2.769
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 168274746
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: PT02680, Phosphatidylinositol 3-kinase catalytic subunit type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 53 nM
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