General Information of the Compound
Compound ID
CP0541932
Compound Name
(R)-N-(2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-yl)-2-(2-oxo-3-(pyridin-2-yl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
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Structure
Formula
C25H20N6O4
Molecular Weight
468.473
Canonical SMILES
O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@]3(Cc2c1)NC(=O)NC3=O
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InChI
InChI=1S/C25H20N6O4/c32-21(27-17-9-8-15-12-25(13-16(15)11-17)22(33)28-23(34)29-25)14-30-18-5-1-2-6-19(18)31(24(30)35)20-7-3-4-10-26-20/h1-11H,12-14H2,(H,27,32)(H2,28,29,33,34)/t25-/m1/s1
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InChIKey
YQFDHOVFVOTRLH-RUZDIDTESA-N
Physicochemical Property
logP
1.5027
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
127.12
Hydrogen Bond Donor Count
3
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: 44570375
ChEMBL ID
CHEMBL465279
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 = 230 nM
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   LI
   LO
   TS