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GtoPdb Ligand ID: 4309

Synonyms: N-(3-methoxyphenyl)-4-chlorocinnamide | SB 366791 | SB-366791
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 38.33
Molecular weight 287.07
XLogP 3.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cccc(c1)NC(=O)C=Cc1ccc(cc1)Cl
Isomeric SMILES COc1cccc(c1)NC(=O)/C=C/c1ccc(cc1)Cl
InChI InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
InChI Key RYAMDQKWNKKFHD-JXMROGBWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
Synonyms Click here for help
N-(3-methoxyphenyl)-4-chlorocinnamide | SB 366791 | SB-366791
Database Links Click here for help
CAS Registry No. 472981-92-3 (source: Scifinder)
ChEMBL Ligand CHEMBL122413
GtoPdb PubChem SID 178101126
PubChem CID 667594
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Search UniChem for chemicals with the same backbone RYAMDQKWNKKFHD

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SB 366791
Cat. No. 1615