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Compound Detail

CHEMBL2282868

CIS-3-(3,4-DIMETHOXYPHENYL)-6-(4-METHOXYSTYRYL)COUMARIN
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COc1ccc(/C=C\c2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)cc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2282868
Name CIS-3-(3,4-DIMETHOXYPHENYL)-6-(4-METHOXYSTYRYL)COUMARIN
Phase Preclinical
Structure Type MOL
InChI Key MQXZUEKJQWPRFA-PLNGDYQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
5.66
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22O5
MW 414.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.04

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