General Information of the Compound
Compound ID
CP0553167
Compound Name
tert-butyl 4-(2-carbazol-9-yl-2-oxoethyl)piperazine-1-carboxylate
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Formula
C23H27N3O3
Molecular Weight
393.487
Canonical SMILES
CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc23)CC1
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InChI
InChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)25-14-12-24(13-15-25)16-21(27)26-19-10-6-4-8-17(19)18-9-5-7-11-20(18)26/h4-11H,12-16H2,1-3H3
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InChIKey
FNHZNJFNIFYHIB-UHFFFAOYSA-N
Physicochemical Property
logP
3.9874
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
54.78
Hydrogen Bond Donor Count
0
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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ChEMBL ID
CHEMBL4759774
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 = 18620.87 nM
   TI
   LI
   LO
   TS