General Information of the Compound
Compound ID
CP0383639
Compound Name
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
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Structure
Formula
C14H17NO4
Molecular Weight
263.293
Canonical SMILES
COc1cc(\C=C\C(=O)N2CCOCC2)ccc1O
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InChI
InChI=1S/C14H17NO4/c1-18-13-10-11(2-4-12(13)16)3-5-14(17)15-6-8-19-9-7-15/h2-5,10,16H,6-9H2,1H3/b5-3+
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InChIKey
XDVWAJLMMNGANG-HWKANZROSA-N
Physicochemical Property
logP
1.2728
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 13559595
SID: 99441163
ChEMBL ID
CHEMBL1097704
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: 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
EC50 = 2.512 nM
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