General Information of the Compound
Compound ID
CP0230353
Compound Name
(1S,2R)-N-[(1-methylindol-2-yl)methyl]-2-phenylcyclopropan-1-amine
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Structure
Formula
C19H20N2
Molecular Weight
276.383
Canonical SMILES
Cn1c(CN[C@H]2C[C@@H]2c2ccccc2)cc2ccccc12
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InChI
InChI=1S/C19H20N2/c1-21-16(11-15-9-5-6-10-19(15)21)13-20-18-12-17(18)14-7-3-2-4-8-14/h2-11,17-18,20H,12-13H2,1H3/t17-,18+/m1/s1
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InChIKey
NKWYIPZKEPBOIF-MSOLQXFVSA-N
Physicochemical Property
logP
3.824
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
16.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 145988106
ChEMBL ID
CHEMBL4292825
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: PT02899, Lysine-specific histone demethylase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 69.1 nM
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   LI
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   TS