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Compound Detail

CHEMBL3306971

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COC(=O)c1c2cc[n+](CCN)cc2c(C)c2c1[nH]c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306971
Phase Preclinical
Structure Type MOL
InChI Key QNRXDPSLPRXXMV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.82
ALogP
3
HBA
2
HBD
72.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N3O2+
MW 334.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.48

Data from ChEMBL 36 via Core Engine