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Compound Detail

CHEMBL4802841

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C=CCc1ccc(OCCCCCCCCc2c3[n+](cc4c(OC)c(OC)ccc24)CCc2cc4c(cc2-3)OCO4)c(-c2ccc(O)c(CC=C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802841
Phase Preclinical
Structure Type MOL
InChI Key ZLOYOGVZNWOZHE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

712.9
MW (Da)
9.89
ALogP
6
HBA
1
HBD
70.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H50NO6+
MW 712.91
Aromatic Rings 5
Heavy Atoms 53
NP-Likeness 0.89

Data from ChEMBL 36 via Core Engine