General Information of the Compound
Compound ID
CP0558167
Compound Name
N-hydroxy-5-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxypentanamide
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Structure
Formula
C24H26N6O5
Molecular Weight
478.509
Canonical SMILES
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(OCCCCC(=O)NO)ccc23)n1
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InChI
InChI=1S/C24H26N6O5/c1-29-16-17(15-26-29)20-7-8-24(32)30(27-20)11-13-35-22-9-10-25-21-14-18(5-6-19(21)22)34-12-3-2-4-23(31)28-33/h5-10,14-16,33H,2-4,11-13H2,1H3,(H,28,31)
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InChIKey
PZZISXZLMYPODT-UHFFFAOYSA-N
Physicochemical Property
logP
2.3255
Rotatable Bonds
11
Heavy Atom Count
35
Polar Areas
133.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Complexity
35

"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: 145970049
ChEMBL ID
CHEMBL4205747
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 > 1000 nM
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