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Compound Detail

CHEMBL604842

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Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604842
Phase Preclinical
Structure Type MOL
InChI Key VIOKBNDQBQFHDH-XIFFEERXSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

722.9
MW (Da)
7.10
ALogP
8
HBA
4
HBD
125.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H40N5O5S2+
MW 722.91
Aromatic Rings 6
Heavy Atoms 51
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine