General Information of the Compound
Compound ID
CP0370720
Compound Name
N-hydroxy-6-[(6-methoxy-4-methylquinolin-8-yl)carbamoylamino]oxyhexanamide
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Structure
Formula
C18H24N4O5
Molecular Weight
376.413
Canonical SMILES
COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1
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InChI
InChI=1S/C18H24N4O5/c1-12-7-8-19-17-14(12)10-13(26-2)11-15(17)20-18(24)22-27-9-5-3-4-6-16(23)21-25/h7-8,10-11,25H,3-6,9H2,1-2H3,(H,21,23)(H2,20,22,24)
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InChIKey
PXUBYCVDCQSMFL-UHFFFAOYSA-N
Physicochemical Property
logP
2.67072
Rotatable Bonds
9
Heavy Atom Count
27
Polar Areas
121.81
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 137643440
ChEMBL ID
CHEMBL4088276
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 77.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 24.8 nM
   TI
   LI
   LO
   TS