General Information of the Compound
Compound ID
CP0651411
Compound Name
SID90340968
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Synonyms
3,4,5-Trimethoxybenzoic acid, 8-(diethylamino)octyl ester
53464-72-5 (hydrochloride)
57818-92-5
8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate
8-(N,N-Diethylamino)octyl-3,4,5-trimethoxybenzoate
AC1L1KGS
AC1Q67GP
AKOS030559942
BSPBio_001503
C22H37NO5
CCG-204118
CHEBI:107633
CHEMBL258764
CTK5A7496
DTXSID70206532
EI-110
GTPL4323
HMS1791L05
HMS1989L05
HMS3402L05
Lopac-861804
Lopac0_000022
MCULE-5343453436
NCGC00014998-06
NCGC00162047-01
NCGC00162047-03
SCHEMBL2173737
TM-8
TMB 8
TMB-8
ZINC3875139
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Structure
Formula
C22H37NO5
Molecular Weight
395.54
Canonical SMILES
CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1
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InChI
InChI=1S/C22H37NO5/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4/h16-17H,6-15H2,1-5H3
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InChIKey
IBQMHBGFMLHHLE-UHFFFAOYSA-N
Physicochemical Property
logP
4.5516
Rotatable Bonds
15
Heavy Atom Count
28
Polar Areas
57.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 5494
SID: 14756766
ChEMBL ID
CHEMBL258764
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: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 23280.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( TMB-8 )
Drug Name TMB-8
Target(s)
5-HT 3A receptor (HTR3A)
 Target Info 
Blocker (channel blocker)