General Information of the Compound
Compound ID
CP0236109
Compound Name
8-[4-[4-(5-methyl-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
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Structure
Formula
C30H37N5
Molecular Weight
467.661
Canonical SMILES
Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
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InChI
InChI=1S/C30H37N5/c1-21-12-13-25-24(19-21)22(20-32-25)7-4-5-14-34-15-17-35(18-16-34)28-11-6-10-27-29(28)30(31)23-8-2-3-9-26(23)33-27/h6,10-13,19-20,32H,2-5,7-9,14-18H2,1H3,(H2,31,33)
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InChIKey
QMHBAHUWFWDGDO-UHFFFAOYSA-N
Physicochemical Property
logP
5.63042
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
61.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 145962474
ChEMBL ID
CHEMBL4130230
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 0.6 nM
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   LI
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