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Compound Detail

CHEMBL5499409

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COc1cc2c3c(cc4ccccc4c3c1OC)N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499409
Phase Preclinical
Structure Type MOL
InChI Key HDAYMLMKCWRFBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.0
MW (Da)
6.20
ALogP
3
HBA
0
HBD
42.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H26ClN2O3+
MW 510.01
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine