General Information of the Compound
Compound ID
CP0553166
Compound Name
2-[(9-ethylcarbazol-2-yl)amino]-1-piperidin-1-ylethanone
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Formula
C21H25N3O
Molecular Weight
335.451
Canonical SMILES
CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc12
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InChI
InChI=1S/C21H25N3O/c1-2-24-19-9-5-4-8-17(19)18-11-10-16(14-20(18)24)22-15-21(25)23-12-6-3-7-13-23/h4-5,8-11,14,22H,2-3,6-7,12-13,15H2,1H3
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InChIKey
WCEUZVJNVIQHES-UHFFFAOYSA-N
Physicochemical Property
logP
4.2388
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
37.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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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ChEMBL ID
CHEMBL4758742
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: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 9772.37 nM
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