General Information of the Compound
Compound ID
CP0437918
Compound Name
(5-cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine
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Structure
Formula
C10H16N2O2S2
Molecular Weight
260.384
Canonical SMILES
NCc1ncc(s1)S(=O)(=O)C1CCCCC1
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InChI
InChI=1S/C10H16N2O2S2/c11-6-9-12-7-10(15-9)16(13,14)8-4-2-1-3-5-8/h7-8H,1-6,11H2
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InChIKey
OUUMRRPPHLTBSN-UHFFFAOYSA-N
Physicochemical Property
logP
1.7082
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
73.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 130345225
ChEMBL ID
CHEMBL4456211
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: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000265 NS0 Mus musculus (Mouse)  1
1
IC50 = 606 nM
   TI
   LI
   LO
   TS