General Information of the Compound
Compound ID
CP0486425
Compound Name
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
    Show/Hide
Structure
Formula
C18H16ClFN2O2S
Molecular Weight
378.856
Canonical SMILES
CN(Cc1c(F)cccc1Cl)C(=O)Cc1csc(n1)-c1ccc(C)o1
    Show/Hide
InChI
InChI=1S/C18H16ClFN2O2S/c1-11-6-7-16(24-11)18-21-12(10-25-18)8-17(23)22(2)9-13-14(19)4-3-5-15(13)20/h3-7,10H,8-9H2,1-2H3
    Show/Hide
InChIKey
IYXLRFQGWHHIPC-UHFFFAOYSA-N
Physicochemical Property
logP
4.70512
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 40050911
ChEMBL ID
CHEMBL4752300
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: PT02001, Orexin/Hypocretin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 11748.98 nM
   TI
   LI
   LO
   TS