N-P-METHOXY CINNAMOYL SEROTONIN

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Synonyms
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key UXBDRKNYXUPWEL-RUDMXATFSA-N
Smiles COc1ccc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
InChI
InChI=1S/C20H20N2O3/c1-25-17-6-2-14(3-7-17)4-9-20(24)21-11-10-15-13-22-19-8-5-16(23)12-18(15)19/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H20N2O3
Molecular Weight 336.38
AlogP 3.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 74.35
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Cross References

Resources Reference
ChEMBL CHEMBL1760548
PubChem 10640609
SureChEMBL SCHEMBL10071700
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