General Information of the Compound
Compound ID
CP0006941
Compound Name
(14-dimethylaminomethyl-6H,13H-pyrazino[1,2-a;4,5-a']diindol-7-ylmethyl)-dimethyl-amine
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Structure
Formula
C24H28N4
Molecular Weight
372.516
Canonical SMILES
CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31
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InChI
InChI=1S/C24H28N4/c1-25(2)13-19-17-9-5-7-11-21(17)27-16-24-20(14-26(3)4)18-10-6-8-12-22(18)28(24)15-23(19)27/h5-12H,13-16H2,1-4H3
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InChIKey
PUDDOANNCQNPJM-UHFFFAOYSA-N
Physicochemical Property
logP
4.1292
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
16.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 44408892
ChEMBL ID
CHEMBL203627
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: PT02227, 5-hydroxytryptamine receptor 3A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS