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Compound Detail

CHEMBL509515

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CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1

Basic Information

ChEMBL ID CHEMBL509515
Phase Preclinical
Structure Type MOL
InChI Key MXCOVFAJNYVLIQ-UYMUGQJUSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

595.7
MW (Da)
4.38
ALogP
7
HBA
5
HBD
137.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H39N4O6S+
MW 595.74
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine