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Compound Detail

CHEMBL5499572

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CC(C)CCn1c[n+](C)c2c1C(=O)c1cc3ccccc3cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499572
Phase Preclinical
Structure Type MOL
InChI Key FAMKHIKISHMROV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.29
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N2O2+
MW 333.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine