General Information of the Compound
Compound ID
CP0490332
Compound Name
N-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-N-hydroxyacetamide
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Structure
Formula
C20H19ClN2O4
Molecular Weight
386.835
Canonical SMILES
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CN(O)C(C)=O)c2c1
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InChI
InChI=1S/C20H19ClN2O4/c1-12-18(11-22(26)13(2)24)17-10-16(27-3)8-9-19(17)23(12)20(25)14-4-6-15(21)7-5-14/h4-10,26H,11H2,1-3H3
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InChIKey
LEBSYDAQXAPLJF-UHFFFAOYSA-N
Physicochemical Property
logP
4.03792
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
71.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 15027391
ChEMBL ID
CHEMBL46871
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 1400 nM
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