General Information of the Compound
Compound ID
CP0523528
Compound Name
N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
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Structure
Formula
C20H21N3O5S
Molecular Weight
415.471
Canonical SMILES
Cc1cc(COc2ccc(cc2)S(=O)(=O)NCCC(=O)NO)c2ccccc2n1
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InChI
InChI=1S/C20H21N3O5S/c1-14-12-15(18-4-2-3-5-19(18)22-14)13-28-16-6-8-17(9-7-16)29(26,27)21-11-10-20(24)23-25/h2-9,12,21,25H,10-11,13H2,1H3,(H,23,24)
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InChIKey
STCUTATVQGJMCR-UHFFFAOYSA-N
Physicochemical Property
logP
2.29602
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
117.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 145975639
ChEMBL ID
CHEMBL4205982
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 = 2300 nM
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