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Compound Detail

CHEMBL5500172

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CCn1c2ccccc2c2cc(/C=C/c3oc4ccc5ccccc5c4[n+]3C)ccc21

Basic Information

ChEMBL ID CHEMBL5500172
Phase Preclinical
Structure Type MOL
InChI Key GKPMMMQHPSWZNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
6.71
ALogP
2
HBA
0
HBD
21.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23N2O+
MW 403.51
Aromatic Rings 6
Heavy Atoms 31
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine