General Information of the Compound
Compound ID
CP0130447
Compound Name
N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
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Structure
Formula
C22H21FN4O3
Molecular Weight
408.433
Canonical SMILES
CC(=O)Nc1ccc(cc1)-c1noc(n1)C1CCCN(C1)C(=O)c1ccccc1F
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InChI
InChI=1S/C22H21FN4O3/c1-14(28)24-17-10-8-15(9-11-17)20-25-21(30-26-20)16-5-4-12-27(13-16)22(29)18-6-2-3-7-19(18)23/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,24,28)
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InChIKey
WLDHYRPVKBBYSB-UHFFFAOYSA-N
Physicochemical Property
logP
3.8539
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
88.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 50835840
ChEMBL ID
CHEMBL4878494
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: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 3000 nM
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