General Information of the Compound
Compound ID
CP0043323
Compound Name
N-hydroxy-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonyloxane-4-carboxamide
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Structure
Formula
C21H25NO7S
Molecular Weight
435.498
Canonical SMILES
CC(C)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
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InChI
InChI=1S/C21H25NO7S/c1-15(2)28-16-3-5-17(6-4-16)29-18-7-9-19(10-8-18)30(25,26)21(20(23)22-24)11-13-27-14-12-21/h3-10,15,24H,11-14H2,1-2H3,(H,22,23)
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InChIKey
NUTUARVYQWFZAA-UHFFFAOYSA-N
Physicochemical Property
logP
3.0944
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
111.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 22485291
SID: 99447812
ChEMBL ID
CHEMBL1801049
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: PT00848, Interstitial collagenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
IC50 = 300 nM
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