General Information of the Compound
Compound ID
CP0456866
Compound Name
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
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Structure
Formula
C20H17N5O4
Molecular Weight
391.387
Canonical SMILES
O=C(Cn1c2ccccc2[nH]c1=O)Nc1ccc2CC3(Cc2c1)NC(=O)NC3=O
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InChI
InChI=1S/C20H17N5O4/c26-16(10-25-15-4-2-1-3-14(15)22-19(25)29)21-13-6-5-11-8-20(9-12(11)7-13)17(27)23-18(28)24-20/h1-7H,8-10H2,(H,21,26)(H,22,29)(H2,23,24,27,28)
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InChIKey
RIRRZWRHYGCNPR-UHFFFAOYSA-N
Physicochemical Property
logP
0.6451
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
125.09
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 10340395
SID: 15351746
ChEMBL ID
CHEMBL223805
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 = 690 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 280 nM
   TI
   LI
   LO
   TS