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Compound Detail

CHEMBL1851672

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CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2

Basic Information

ChEMBL ID CHEMBL1851672
Phase Preclinical
Structure Type MOL
InChI Key VCXYEFOPDLYZSY-LOYHVIPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

626.8
MW (Da)
4.25
ALogP
7
HBA
3
HBD
128.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H46N4O6S
MW 626.82
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine