General Information of the Compound
Compound ID
CP0127842
Compound Name
N-hydroxy-2-[2-methylpropyl-(4-phenylmethoxyphenyl)sulfonylamino]acetamide
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Structure
Formula
C19H24N2O5S
Molecular Weight
392.477
Canonical SMILES
CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C19H24N2O5S/c1-15(2)12-21(13-19(22)20-23)27(24,25)18-10-8-17(9-11-18)26-14-16-6-4-3-5-7-16/h3-11,15,23H,12-14H2,1-2H3,(H,20,22)
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InChIKey
FGQTUBBIXYISNM-UHFFFAOYSA-N
Physicochemical Property
logP
2.4177
Rotatable Bonds
9
Heavy Atom Count
27
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 71652215
ChEMBL ID
CHEMBL2337690
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: PT01178, A disintegrin and metalloproteinase with thrombospondin motifs 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 630 nM
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Protein ID: PT01250, A disintegrin and metalloproteinase with thrombospondin motifs 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1770 nM
   TI
   LI
   LO
   TS