General Information of the Compound
Compound ID
CP0118545
Compound Name
2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-hydroxy-acetamide
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Synonyms
1-(4-Chlorobenzoyl)-N-hydroxy-5-methoxy-2-methyl-1H-indole-3-acetamide
1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetohydroxamic acid
1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetohydroxamic acid
27035-30-9
8G02RSW5CM
ABC 8/3
Acido 1-(p-clorobenzoi
Acido indoxamico [Italian]
BRN 0497721
CHEMBL295829
EINECS 248-179-6
Flogar
Indoxamic acid
Oxametacin
Oxametacin (INN)
Oxametacin [INN]
Oxametacina [INN-Spanish]
Oxametacine
Oxametacine [INN-French]
Oxametacinum [INN-Latin]
Oxamethacin
UNII-8G02RSW5CM
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Structure
Formula
C19H17ClN2O4
Molecular Weight
372.808
Canonical SMILES
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NO)c2c1
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InChI
InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)
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InChIKey
AJRNYCDWNITGHF-UHFFFAOYSA-N
CAS
27035-30-9
Physicochemical Property
logP
3.34812
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
80.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 33675
SID: 15299318
ChEMBL ID
CHEMBL295829
DrugBank ID
DB13308
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 = 7500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Oxametacin )
Drug Name Oxametacin
Target(s)
Prostaglandin G/H synthase 2 (COX-2)
 Target Info 
Inhibitor
Prostaglandin G/H synthase 1 (COX-1)
 Target Info 
Inhibitor