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Compound Detail

CHEMBL6069649

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C=CCc1ccc(OCCC)c(-c2ccc(OC(=O)Cc3c4[n+](cc5c(OC)c(OC)ccc35)CCc3cc5c(cc3-4)OCO5)c(CC=C)c2)c1

Basic Information

ChEMBL ID CHEMBL6069649
Phase Preclinical
Structure Type MOL
InChI Key AUWGHRVNINEUJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

684.8
MW (Da)
8.16
ALogP
7
HBA
0
HBD
76.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H42NO7+
MW 684.81
Aromatic Rings 5
Heavy Atoms 51
NP-Likeness 0.62

Data from ChEMBL 36 via Core Engine