General Information of the Compound
Compound ID
CP0442412
Compound Name
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-oxo-3-phenylbenzimidazol-1-yl)acetamide
    Show/Hide
Structure
Formula
C26H21N5O4
Molecular Weight
467.485
Canonical SMILES
O=C(Cn1c2ccccc2n(-c2ccccc2)c1=O)Nc1ccc2CC3(Cc2c1)NC(=O)NC3=O
    Show/Hide
InChI
InChI=1S/C26H21N5O4/c32-22(27-18-11-10-16-13-26(14-17(16)12-18)23(33)28-24(34)29-26)15-30-20-8-4-5-9-21(20)31(25(30)35)19-6-2-1-3-7-19/h1-12H,13-15H2,(H,27,32)(H2,28,29,33,34)
    Show/Hide
InChIKey
PERWLMFLRFZYEH-UHFFFAOYSA-N
Physicochemical Property
logP
2.1077
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
114.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 44420227
ChEMBL ID
CHEMBL219721
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: PT01670, Calcitonin gene-related peptide type 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000748 NAL1A clone C4E10 Mus musculus (Mouse)  1
1
IC50 = 430 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 87 nM
   TI
   LI
   LO
   TS