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Compound Detail

CHEMBL5498749

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COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C(=O)c1cc[n+](Cc3ccc(F)cc3)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498749
Phase Preclinical
Structure Type MOL
InChI Key AIUHHNZUNNPPMS-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
5.14
ALogP
3
HBA
0
HBD
42.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28FN2O3+
MW 495.57
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine