General Information of the Compound
Compound ID
CP0505618
Compound Name
N-(2',5'-dioxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide
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Structure
Formula
C26H21N5O4
Molecular Weight
467.485
Canonical SMILES
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2CC3(CC(=O)NC3=O)Cc2c1
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InChI
InChI=1S/C26H21N5O4/c32-22-14-26(24(34)29-22)12-16-8-9-18(11-17(16)13-26)28-23(33)15-30-19-5-1-2-6-20(19)31(25(30)35)21-7-3-4-10-27-21/h1-11H,12-15H2,(H,28,33)(H,29,32,34)
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InChIKey
UHCWYPKKIDOAEC-UHFFFAOYSA-N
Physicochemical Property
logP
1.9574
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
115.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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).

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PubChem ID
CID: 11532845
SID: 16634869
ChEMBL ID
CHEMBL464263
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 96 nM
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