General Information of the Compound
Compound ID
CP0404746
Compound Name
2-Morpholin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
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Structure
Formula
C12H12N4O
Molecular Weight
228.255
Canonical SMILES
N#Cc1c([nH]c2cccnc12)N1CCOCC1
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InChI
InChI=1S/C12H12N4O/c13-8-9-11-10(2-1-3-14-11)15-12(9)16-4-6-17-7-5-16/h1-3,15H,4-7H2
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InChIKey
SHHBQFRXJWPATH-UHFFFAOYSA-N
Physicochemical Property
logP
1.27118
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
64.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 10263172
SID: 15267308
ChEMBL ID
CHEMBL60343
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: PT01821, Calcium-activated potassium channel subunit alpha-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 3860 nM
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