General Information of the Compound
Compound ID
CP0036563
Compound Name
N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
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Structure
Formula
C19H19F3N2O6S
Molecular Weight
460.43
Canonical SMILES
ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
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InChI
InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)
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InChIKey
LCYYUMHWMVOGPC-UHFFFAOYSA-N
Physicochemical Property
logP
2.7788
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
113.96
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
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).

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PubChem ID
CID: 22985930
SID: 99447917
ChEMBL ID
CHEMBL1801429
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 = 10000 nM
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