General Information of the Compound
Compound ID
CP0212505
Compound Name
4-amino-3,5-dichloro-N-cyclopentyl-N-cyclopropylbenzamide
    Show/Hide
Structure
Formula
C15H18Cl2N2O
Molecular Weight
313.228
Canonical SMILES
Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCC1
    Show/Hide
InChI
InChI=1S/C15H18Cl2N2O/c16-12-7-9(8-13(17)14(12)18)15(20)19(11-5-6-11)10-3-1-2-4-10/h7-8,10-11H,1-6,18H2
    Show/Hide
InChIKey
RMFVUUNCYRECJD-UHFFFAOYSA-N
Physicochemical Property
logP
4.1228
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
46.33
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44420153
ChEMBL ID
CHEMBL220795
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 = 140 nM
   TI
   LI
   LO
   TS