General Information of the Compound
Compound ID
CP0442279
Compound Name
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
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Structure
Formula
C20H16N4O5
Molecular Weight
392.371
Canonical SMILES
O=C(Cn1c2ccccc2oc1=O)Nc1ccc2CC3(Cc2c1)NC(=O)NC3=O
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InChI
InChI=1S/C20H16N4O5/c25-16(10-24-14-3-1-2-4-15(14)29-19(24)28)21-13-6-5-11-8-20(9-12(11)7-13)17(26)22-18(27)23-20/h1-7H,8-10H2,(H,21,25)(H2,22,23,26,27)
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InChIKey
JVOMOSNNTNWHME-UHFFFAOYSA-N
Physicochemical Property
logP
0.91
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
122.44
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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: 10340456
SID: 15351814
ChEMBL ID
CHEMBL220336
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 = 2900 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 309 nM
   TI
   LI
   LO
   TS