General Information of the Compound
Compound ID
CP0390035
Compound Name
3-chloro-N-[[3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine-7-carboxamide
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Structure
Formula
C22H29ClN4O2
Molecular Weight
416.953
Canonical SMILES
CC(C)c1nn2c(cccc2c1Cl)C(=O)NCC1C2CN(CC12)C1CCOCC1
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InChI
InChI=1S/C22H29ClN4O2/c1-13(2)21-20(23)18-4-3-5-19(27(18)25-21)22(28)24-10-15-16-11-26(12-17(15)16)14-6-8-29-9-7-14/h3-5,13-17H,6-12H2,1-2H3,(H,24,28)
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InChIKey
ODZMEPNOVCZBSX-UHFFFAOYSA-N
Physicochemical Property
logP
3.1977
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
58.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 145974756
ChEMBL ID
CHEMBL4217842
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 291 nM
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