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Compound Detail

CHEMBL4802632

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C=CCc1ccc(OCCCCCc2c3[n+](cc4c(OC)c(OC)ccc24)CCc2cc4c(cc2-3)OCO4)c(-c2ccc(OC)c(CC=C)c2)c1

Basic Information

ChEMBL ID CHEMBL4802632
Phase Preclinical
Structure Type MOL
InChI Key LARUYXGVTCUUOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

684.9
MW (Da)
9.02
ALogP
6
HBA
0
HBD
59.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H46NO6+
MW 684.85
Aromatic Rings 5
Heavy Atoms 51
NP-Likeness 0.78

Data from ChEMBL 36 via Core Engine