General Information of the Compound
Compound ID
CP0510853
Compound Name
(R)-N-(5-(4-amino-3-hydroxybutanoyl)-2-hydroxyphenyl)methanesulfonamide
    Show/Hide
Structure
Formula
C11H16N2O5S
Molecular Weight
288.325
Canonical SMILES
CS(=O)(=O)Nc1cc(ccc1O)C(=O)C[C@@H](O)CN
    Show/Hide
InChI
InChI=1S/C11H16N2O5S/c1-19(17,18)13-9-4-7(2-3-10(9)15)11(16)5-8(14)6-12/h2-4,8,13-15H,5-6,12H2,1H3/t8-/m1/s1
    Show/Hide
InChIKey
TVOHLYHQVLSCIX-MRVPVSSYSA-N
Physicochemical Property
logP
-0.3439
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
129.72
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
19

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44444159
ChEMBL ID
CHEMBL251363
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: PT01493, Beta-3 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 15000 nM
   TI
   LI
   LO
   TS