General Information of the Compound
Compound ID
CP0577628
Compound Name
N-[1-(5-fluoropyridin-3-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
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Structure
Formula
C19H17FN4O2
Molecular Weight
352.369
Canonical SMILES
COc1ccc(cc1)C1(CC1)C(=O)Nc1ccn(n1)-c1cncc(F)c1
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InChI
InChI=1S/C19H17FN4O2/c1-26-16-4-2-13(3-5-16)19(7-8-19)18(25)22-17-6-9-24(23-17)15-10-14(20)11-21-12-15/h2-6,9-12H,7-8H2,1H3,(H,22,23,25)
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InChIKey
RYPRBAVEWVOKQH-UHFFFAOYSA-N
Physicochemical Property
logP
3.0853
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
69.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 168270143
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 = 640 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3700 nM