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Compound Detail

CHEMBL507874

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CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1

Basic Information

ChEMBL ID CHEMBL507874
Phase Preclinical
Structure Type MOL
InChI Key CNXWAYYAICBSCA-WCELNSPKSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

677.8
MW (Da)
5.09
ALogP
7
HBA
3
HBD
132.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H41N4O7+
MW 677.78
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine