General Information of the Compound
Compound ID
CP0543009
Compound Name
1-(2-fluorophenyl)-N-[1-(1,2,4-thiadiazol-5-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
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Structure
Formula
C15H12FN5OS
Molecular Weight
329.36
Canonical SMILES
Fc1ccccc1C1(CC1)C(=O)Nc1ccn(n1)-c1ncns1
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InChI
InChI=1S/C15H12FN5OS/c16-11-4-2-1-3-10(11)15(6-7-15)13(22)19-12-5-8-21(20-12)14-17-9-18-23-14/h1-5,8-9H,6-7H2,(H,19,20,22)
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InChIKey
VCFJBQXRKJQAKI-UHFFFAOYSA-N
Physicochemical Property
logP
2.5332
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
72.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 134596422
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 = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 400 nM