General Information of the Compound
Compound ID
CP0360962
Compound Name
N-methyl-4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]benzenesulfonamide
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Structure
Formula
C17H20N2O2S
Molecular Weight
316.426
Canonical SMILES
CNS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1
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InChI
InChI=1S/C17H20N2O2S/c1-18-22(20,21)15-9-7-13(8-10-15)12-19-17-11-16(17)14-5-3-2-4-6-14/h2-10,16-19H,11-12H2,1H3/t16-,17+/m1/s1
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InChIKey
ASGPLFYUXPVXNJ-SJORKVTESA-N
Physicochemical Property
logP
2.2404
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 145988393
ChEMBL ID
CHEMBL4288999
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 = 187.3 nM
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