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Compound Detail

CHEMBL1178031

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CCCCCCCCCCCCCCCCOCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)COC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178031
Phase Preclinical
Structure Type MOL
InChI Key GVVGMZSBJRTHSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

547.8
MW (Da)
6.99
ALogP
5
HBA
0
HBD
69.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H55N2O5+
MW 547.80
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine