General Information of the Compound
Compound ID
CP0402003
Compound Name
N-(6-methoxyquinolin-8-yl)-6-(sulfamoylamino)hexanamide
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Structure
Formula
C16H22N4O4S
Molecular Weight
366.443
Canonical SMILES
COc1cc(NC(=O)CCCCCNS(N)(=O)=O)c2ncccc2c1
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InChI
InChI=1S/C16H22N4O4S/c1-24-13-10-12-6-5-8-18-16(12)14(11-13)20-15(21)7-3-2-4-9-19-25(17,22)23/h5-6,8,10-11,19H,2-4,7,9H2,1H3,(H,20,21)(H2,17,22,23)
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InChIKey
UYOZMTOHEYUANN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5354
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
123.41
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44591343
ChEMBL ID
CHEMBL515295
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 50000 nM
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