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Compound Detail

CHEMBL2282863

CIS-3-(4-METHOXYPHENYL)-6-STYRYLCOUMARIN
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COc1ccc(-c2cc3cc(/C=C\c4ccccc4)ccc3oc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2282863
Name CIS-3-(4-METHOXYPHENYL)-6-STYRYLCOUMARIN
Phase Preclinical
Structure Type MOL
InChI Key CDDDVUODUYOENR-FPLPWBNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
5.64
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18O3
MW 354.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.03

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