General Information of the Compound
Compound ID
CP0401917
Compound Name
(R)-3-(3-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-ylamino)-2-oxoethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propanamide
    Show/Hide
Structure
Formula
C24H24N6O5
Molecular Weight
476.493
Canonical SMILES
CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(CCC(N)=O)c3=O)cc2C1
    Show/Hide
InChI
InChI=1S/C24H24N6O5/c1-28-22(34)27-21(33)24(28)11-14-6-7-16(10-15(14)12-24)26-20(32)13-30-18-5-3-2-4-17(18)29(23(30)35)9-8-19(25)31/h2-7,10H,8-9,11-13H2,1H3,(H2,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1
    Show/Hide
InChIKey
REQCAJCWELRNFM-XMMPIXPASA-N
Physicochemical Property
logP
0.3361
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
148.53
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44563124
ChEMBL ID
CHEMBL509718
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 = 31 nM
   TI
   LI
   LO
   TS