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Compound Detail

CHEMBL5096031

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C[N+]1(CCCCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(OCCCCCC[N+]4(C)CCCCCC4)cc3)cc2)CCCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5096031
Phase Preclinical
Structure Type MOL
InChI Key MJCCPKDNUJDXOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

725.2
MW (Da)
11.86
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H76N2O2+2
MW 725.16
Aromatic Rings 2
Heavy Atoms 53
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine