General Information of the Compound
Compound ID
CP0527094
Compound Name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate
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Synonyms
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate
124583-47-7
1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-
1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate
89565-68-4
AC1L1KP5
AC1Q625H
ACMC-20bn7f
ACMC-20mr3z
Biomol-NT_000158
CHEMBL8197
Enamine_001310
Lopac0_001253
MLS000055682
NCGC00015984-03
Oprea1_462281
Oprea1_655173
REGID_for_CID_5595
SCHEMBL463128
SCHEMBL8946882
TA1-RTA
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Structure
Formula
C17H20N2O2
Molecular Weight
284.359
Canonical SMILES
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
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InChI
InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
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InChIKey
ZNRGQMMCGHDTEI-UHFFFAOYSA-N
CAS
156-45-6
Physicochemical Property
logP
2.9499
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
45.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 5595
SID: 15222411
ChEMBL ID
CHEMBL8197
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 = 14689.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( TA1-RTA )
Drug Name TA1-RTA
Target(s)
Erbb2 tyrosine kinase receptor (HER2)
 Target Info 
Binder