General Information of the Compound
Compound ID
CP0140854
Compound Name
N-hydroxy-1-propan-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
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Structure
Formula
C22H25F3N2O5S
Molecular Weight
486.512
Canonical SMILES
CC(C)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
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InChI
InChI=1S/C22H25F3N2O5S/c1-15(2)27-13-11-21(12-14-27,20(28)26-29)33(30,31)19-9-7-18(8-10-19)32-17-5-3-16(4-6-17)22(23,24)25/h3-10,15,29H,11-14H2,1-2H3,(H,26,28)
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InChIKey
LTCNKRUYOJZZJO-UHFFFAOYSA-N
Physicochemical Property
logP
4.0198
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 22485408
ChEMBL ID
CHEMBL1801426
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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