General Information of the Compound
Compound ID
CP0383238
Compound Name
(4-Amino-phenyl)-(6-methoxy-1,2,3,4-tetrahydro-carbazol-9-yl)-methanone
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Structure
Formula
C20H20N2O2
Molecular Weight
320.392
Canonical SMILES
COc1ccc2n(C(=O)c3ccc(N)cc3)c3CCCCc3c2c1
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InChI
InChI=1S/C20H20N2O2/c1-24-15-10-11-19-17(12-15)16-4-2-3-5-18(16)22(19)20(23)13-6-8-14(21)9-7-13/h6-12H,2-5,21H2,1H3
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InChIKey
QCUITMHJEJDURN-UHFFFAOYSA-N
Physicochemical Property
logP
3.7994
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
57.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44386815
ChEMBL ID
CHEMBL177233
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 = 6000 nM
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   LI
   LO
   TS