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Compound Detail

CHEMBL3990068

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CNCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990068
Phase Preclinical
Structure Type MOL
InChI Key GZDDTFRSKUIMSW-QPLCGJKRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.72
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29NO3
MW 403.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine