General Information of the Compound
Compound ID
CP0429761
Compound Name
2-phenylmethoxy-N-[3-[3-[(2-phenylmethoxyacetyl)amino]benzoyl]phenyl]acetamide
    Show/Hide
Structure
Formula
C31H28N2O5
Molecular Weight
508.574
Canonical SMILES
O=C(COCc1ccccc1)Nc1cccc(c1)C(=O)c1cccc(NC(=O)COCc2ccccc2)c1
    Show/Hide
InChI
InChI=1S/C31H28N2O5/c34-29(21-37-19-23-9-3-1-4-10-23)32-27-15-7-13-25(17-27)31(36)26-14-8-16-28(18-26)33-30(35)22-38-20-24-11-5-2-6-12-24/h1-18H,19-22H2,(H,32,34)(H,33,35)
    Show/Hide
InChIKey
LNDOKMVCXWNMBK-UHFFFAOYSA-N
Physicochemical Property
logP
5.2282
Rotatable Bonds
12
Heavy Atom Count
38
Polar Areas
93.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
38

"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: 127038502
ChEMBL ID
CHEMBL3739646
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: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000922 MDCK-UT-A1-AQP1-YFP Canis lupus familiaris (Dog)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS