General Information of the Compound
Compound ID
CP0578304
Compound Name
1-(2,5-difluorophenyl)-N-[1-(5-fluoropyridin-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
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Structure
Formula
C18H13F3N4O
Molecular Weight
358.323
Canonical SMILES
Fc1ccc(F)c(c1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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InChI
InChI=1S/C18H13F3N4O/c19-11-1-2-15(21)14(8-11)18(4-5-18)17(26)23-16-3-6-25(24-16)13-7-12(20)9-22-10-13/h1-3,6-10H,4-5H2,(H,23,24,26)
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InChIKey
BBTHJRJSPHYWQU-UHFFFAOYSA-N
Physicochemical Property
logP
3.3549
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 168292521
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: PT05231, Very long chain fatty acid elongase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000154 HEK293-EBNA1-6E Homo sapiens (Human)  1
1
IC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 550 nM