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Compound Detail

CHEMBL1190000

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CCCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C

Basic Information

ChEMBL ID CHEMBL1190000
Phase Preclinical
Structure Type MOL
InChI Key ZILUEQLFAVLYQS-OYICLKKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
4.63
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.61
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 C23H29N3O3
MW 395.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.11

Data from ChEMBL 36 via Core Engine