General Information of the Compound
Compound ID
CP0078218
Compound Name
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
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Structure
Formula
C17H19NOS
Molecular Weight
285.412
Canonical SMILES
CN(Cc1cccs1)C(=O)C1(CC1)c1ccc(C)cc1
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InChI
InChI=1S/C17H19NOS/c1-13-5-7-14(8-6-13)17(9-10-17)16(19)18(2)12-15-4-3-11-20-15/h3-8,11H,9-10,12H2,1-2H3
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InChIKey
LDZFSHKFVOIAHF-UHFFFAOYSA-N
Physicochemical Property
logP
3.74672
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 71449606
SID: 163445648
ChEMBL ID
CHEMBL2159071
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 280 nM
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