General Information of the Compound
Compound ID
CP0036552
Compound Name
N-hydroxy-1-propan-2-yl-4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonylpiperidine-4-carboxamide
    Show/Hide
Structure
Formula
C24H32N2O5S
Molecular Weight
460.596
Canonical SMILES
CC(C)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(C)C)cc1
    Show/Hide
InChI
InChI=1S/C24H32N2O5S/c1-17(2)19-5-7-20(8-6-19)31-21-9-11-22(12-10-21)32(29,30)24(23(27)25-28)13-15-26(16-14-24)18(3)4/h5-12,17-18,28H,13-16H2,1-4H3,(H,25,27)
    Show/Hide
InChIKey
SXSIQUOYBXOPSS-UHFFFAOYSA-N
Physicochemical Property
logP
4.1244
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 22485292
SID: 99447706
ChEMBL ID
CHEMBL1801415
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
   TI
   LI
   LO
   TS