General Information of the Compound
Compound ID
CP0532114
Compound Name
N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
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Structure
Formula
C21H18N4O5
Molecular Weight
406.398
Canonical SMILES
CN1C(=O)NC(=O)[C@@]11Cc2ccc(NC(=O)Cn3c4ccccc4oc3=O)cc2C1
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InChI
InChI=1S/C21H18N4O5/c1-24-19(28)23-18(27)21(24)9-12-6-7-14(8-13(12)10-21)22-17(26)11-25-15-4-2-3-5-16(15)30-20(25)29/h2-8H,9-11H2,1H3,(H,22,26)(H,23,27,28)/t21-/m0/s1
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InChIKey
SEUNEKGPILBDMY-NRFANRHFSA-N
Physicochemical Property
logP
1.2522
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
113.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 44420290
ChEMBL ID
CHEMBL222198
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 = 1050 nM
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