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Compound Detail

CHEMBL5095638

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C[N+]1(CCCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(OCCCCC[N+]4(C)CCCCC4)cc3)cc2)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095638
Phase Preclinical
Structure Type MOL
InChI Key WIVJDMRHYYTBCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

669.0
MW (Da)
10.30
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H68N2O2+2
MW 669.05
Aromatic Rings 2
Heavy Atoms 49
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine