General Information of the Compound
Compound ID
CP0415772
Compound Name
N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxamide
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Structure
Formula
C24H27N3O5S
Molecular Weight
469.563
Canonical SMILES
Cc1cc(COc2ccc(cc2)S(=O)(=O)NC2(CCCCC2)C(=O)NO)c2ccccc2n1
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InChI
InChI=1S/C24H27N3O5S/c1-17-15-18(21-7-3-4-8-22(21)25-17)16-32-19-9-11-20(12-10-19)33(30,31)27-24(23(28)26-29)13-5-2-6-14-24/h3-4,7-12,15,27,29H,2,5-6,13-14,16H2,1H3,(H,26,28)
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InChIKey
RRSZQPXFDDLEBT-UHFFFAOYSA-N
Physicochemical Property
logP
3.60882
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
117.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 145964890
ChEMBL ID
CHEMBL4213946
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 = 100 nM
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