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Compound Detail

CHEMBL509520

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CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1

Basic Information

ChEMBL ID CHEMBL509520
Phase Preclinical
Structure Type MOL
InChI Key CTFDKSWRIMHOOV-IIAQFCPMSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

588.7
MW (Da)
3.89
ALogP
5
HBA
6
HBD
139.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H42N5O5+
MW 588.73
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine