General Information of the Compound
Compound ID
CP0036555
Compound Name
N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
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Structure
Formula
C19H19F3N2O5S
Molecular Weight
444.431
Canonical SMILES
ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
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InChI
InChI=1S/C19H19F3N2O5S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(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
DZCGIZPIPKWUIX-UHFFFAOYSA-N
Physicochemical Property
logP
2.899
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
104.73
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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: 22485386
SID: 99447816
ChEMBL ID
CHEMBL1801425
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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