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Compound Detail

CHEMBL2282866

CIS-3-(3,4-DIMETHOXYPHENYL)-6-STYRYLCOUMARIN
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COc1ccc(-c2cc3cc(/C=C\c4ccccc4)ccc3oc2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2282866
Name CIS-3-(3,4-DIMETHOXYPHENYL)-6-STYRYLCOUMARIN
Phase Preclinical
Structure Type MOL
InChI Key WQPDXCLEDLAZPT-HJWRWDBZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
5.65
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20O4
MW 384.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0159-y K562 1
- 10.1007/s00044-012-0159-y NON-PROTEIN TARGET 1
- 10.1007/s00044-012-0159-y MCF7 1

Data from ChEMBL 36 via Core Engine