General Information of the Compound
Compound ID
CP0415313
Compound Name
(E)-N-(3-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
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Structure
Formula
C15H12N2O4
Molecular Weight
284.271
Canonical SMILES
Oc1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1
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InChI
InChI=1S/C15H12N2O4/c18-14-6-2-4-12(10-14)16-15(19)8-7-11-3-1-5-13(9-11)17(20)21/h1-10,18H,(H,16,19)/b8-7+
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InChIKey
MUJURUQANSUIPS-BQYQJAHWSA-N
Physicochemical Property
logP
2.9523
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
92.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 692351
ChEMBL ID
CHEMBL3422828
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: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS