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Compound Detail

CHEMBL5499927

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COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499927
Phase Preclinical
Structure Type MOL
InChI Key IISVIQHACVXRIA-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.0
MW (Da)
5.66
ALogP
3
HBA
0
HBD
42.6
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28ClN2O3+
MW 512.03
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine