General Information of the Compound
Compound ID
CP0509265
Compound Name
(R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-yl)-2-(4-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
    Show/Hide
Structure
Formula
C22H21N5O4
Molecular Weight
419.441
Canonical SMILES
CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc(C)c4[nH]c3=O)cc2C1
    Show/Hide
InChI
InChI=1S/C22H21N5O4/c1-12-4-3-5-16-18(12)24-21(31)27(16)11-17(28)23-15-7-6-13-9-22(10-14(13)8-15)19(29)25-20(30)26(22)2/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1
    Show/Hide
InChIKey
NYAZEXOYGVQHGA-JOCHJYFZSA-N
Physicochemical Property
logP
1.29572
Rotatable Bonds
3
Heavy Atom Count
31
Polar Areas
116.3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44562896
ChEMBL ID
CHEMBL471359
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)  2
1
IC50 = 59 nM
   TI
   LI
   LO
   TS
2
Ki = 41 nM
   TI
   LI
   LO
   TS