General Information of the Compound
Compound ID
CP0423368
Compound Name
6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propylamino]-2,3-dihydroinden-1-one
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Structure
Formula
C22H30N4O2
Molecular Weight
382.508
Canonical SMILES
CC(C)c1noc(n1)N1CCC(CCCNc2ccc3CCC(=O)c3c2)CC1
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InChI
InChI=1S/C22H30N4O2/c1-15(2)21-24-22(28-25-21)26-12-9-16(10-13-26)4-3-11-23-18-7-5-17-6-8-20(27)19(17)14-18/h5,7,14-16,23H,3-4,6,8-13H2,1-2H3
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InChIKey
AAEXAWXHXYDQNR-UHFFFAOYSA-N
Physicochemical Property
logP
4.4306
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
71.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 62707006
SID: 148138601
ChEMBL ID
CHEMBL2058674
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: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 58 nM
   TI
   LI
   LO
   TS
Protein ID: PT02398, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 158 nM
   TI
   LI
   LO
   TS