General Information of the Compound
Compound ID
CP0386936
Compound Name
3-[(4-methoxyphenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
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Structure
Formula
C19H18N2O4
Molecular Weight
338.363
Canonical SMILES
COc1ccc(OCc2cccc(c2)C(=O)Nc2cc(C)on2)cc1
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InChI
InChI=1S/C19H18N2O4/c1-13-10-18(21-25-13)20-19(22)15-5-3-4-14(11-15)12-24-17-8-6-16(23-2)7-9-17/h3-11H,12H2,1-2H3,(H,20,21,22)
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InChIKey
QQAVADRQQYEFOH-UHFFFAOYSA-N
Physicochemical Property
logP
3.82292
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
73.59
Hydrogen Bond Donor Count
1
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: 843415
ChEMBL ID
CHEMBL1598445
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: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 4140 nM
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