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Compound Detail

CHEMBL1180699

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CCOC1(OCC)C2c3ccccc3C(C1C)[n+]1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180699
Phase Preclinical
Structure Type MOL
InChI Key MQQSSICDBALUNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.43
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24NO2+
MW 310.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.43

Data from ChEMBL 36 via Core Engine