General Information of the Compound
Compound ID
CP0482216
Compound Name
N-hydroxy-2-[1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopropyl]acetamide
    Show/Hide
Structure
Formula
C22H23N3O5S
Molecular Weight
441.509
Canonical SMILES
Cc1cc(COc2ccc(cc2)S(=O)(=O)NC2(CC(=O)NO)CC2)c2ccccc2n1
    Show/Hide
InChI
InChI=1S/C22H23N3O5S/c1-15-12-16(19-4-2-3-5-20(19)23-15)14-30-17-6-8-18(9-7-17)31(28,29)25-22(10-11-22)13-21(26)24-27/h2-9,12,25,27H,10-11,13-14H2,1H3,(H,24,26)
    Show/Hide
InChIKey
XZRVCLAKOFTHAA-UHFFFAOYSA-N
Physicochemical Property
logP
2.82862
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
117.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 145965182
ChEMBL ID
CHEMBL4209432
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: PT01058, Disintegrin and metalloproteinase domain-containing protein 17
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 = 84 nM
   TI
   LI
   LO
   TS