General Information of the Compound
Compound ID
CP0436464
Compound Name
N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
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Structure
Formula
C18H17F3N2OS
Molecular Weight
366.408
Canonical SMILES
FC(F)(F)c1ccc(cc1)C1N(CCc2sccc12)C(=O)NC1CC1
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InChI
InChI=1S/C18H17F3N2OS/c19-18(20,21)12-3-1-11(2-4-12)16-14-8-10-25-15(14)7-9-23(16)17(24)22-13-5-6-13/h1-4,8,10,13,16H,5-7,9H2,(H,22,24)
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InChIKey
NKTMGVQULVMCBW-UHFFFAOYSA-N
Physicochemical Property
logP
4.5864
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 57325847
SID: 136327808
ChEMBL ID
CHEMBL2032187
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: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1210 nM
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