General Information of the Compound
Compound ID
CP0552911
Compound Name
3-(4-nitrophenoxy)-N-phenylbenzamide
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Structure
Formula
C19H14N2O4
Molecular Weight
334.331
Canonical SMILES
[O-][N+](=O)c1ccc(Oc2cccc(c2)C(=O)Nc2ccccc2)cc1
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InChI
InChI=1S/C19H14N2O4/c22-19(20-15-6-2-1-3-7-15)14-5-4-8-18(13-14)25-17-11-9-16(10-12-17)21(23)24/h1-13H,(H,20,22)
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InChIKey
SHFCYDYJDDCCKN-UHFFFAOYSA-N
Physicochemical Property
logP
4.6394
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
81.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 2233248
ChEMBL ID
CHEMBL438164
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001022 HEK293EM Homo sapiens (Human)  1
1
IC50 = 5300 nM
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