General Information of the Compound
Compound ID
CP0919726
Compound Name
N-(7-Methyl-2,3-dihydro-1H-inden-4-yl)-4-methylpyrrolidin-2-imine Hydrochloride
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Structure
Formula
C15H21ClN2
Molecular Weight
264.8
Canonical SMILES
Cc1ccc(/N=C2/CC(C)CN2)c2c1CCC2.Cl
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InChI
InChI=1S/C15H20N2.ClH/c1-10-8-15(16-9-10)17-14-7-6-11(2)12-4-3-5-13(12)14;/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17);1H
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InChIKey
BBTPWUDIUFTVPM-UHFFFAOYSA-N
Physicochemical Property
logP
3.56492
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 89964926
ChEMBL ID
CHEMBL3408294
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 2.8 nM
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   LI
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