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Compound Detail

CHEMBL5095626

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OCC[N+]1(CCCCCCOc2ccc(C(=C3C4CC5CC(C4)CC3C5)c3ccc(OCCCCCC[N+]4(CCO)CCCC4)cc3)cc2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095626
Phase Preclinical
Structure Type MOL
InChI Key LUWLSCIEMTUWKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

729.1
MW (Da)
9.03
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H72N2O4+2
MW 729.10
Aromatic Rings 2
Heavy Atoms 53
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine