General Information of the Compound
Compound ID
CP0490397
Compound Name
(9-Benzyl-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethyl)-dimethyl-amine
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Structure
Formula
C22H26N2
Molecular Weight
318.464
Canonical SMILES
CN(C)CC1CCCc2c1c1ccccc1n2Cc1ccccc1
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InChI
InChI=1S/C22H26N2/c1-23(2)16-18-11-8-14-21-22(18)19-12-6-7-13-20(19)24(21)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,8,11,14-16H2,1-2H3
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InChIKey
IECAIIIDXWJGQU-UHFFFAOYSA-N
Physicochemical Property
logP
4.6711
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
8.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 21514234
ChEMBL ID
CHEMBL435534
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 64 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 136 nM
   TI
   LI
   LO
   TS