General Information of the Compound
Compound ID
CP0407828
Compound Name
2,5-dimethyl-N-(2-phenylethyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
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Structure
Formula
C22H21F3N2O
Molecular Weight
386.417
Canonical SMILES
Cc1cc(C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F
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InChI
InChI=1S/C22H21F3N2O/c1-15-14-18(21(28)26-13-12-17-8-4-3-5-9-17)16(2)27(15)20-11-7-6-10-19(20)22(23,24)25/h3-11,14H,12-13H2,1-2H3,(H,26,28)
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InChIKey
SBQNGYANPNPZND-UHFFFAOYSA-N
Physicochemical Property
logP
5.08544
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 11710766
ChEMBL ID
CHEMBL4070726
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: PT01154, Mineralocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 < 500 nM
   TI
   LI
   LO
   TS