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Compound Detail

CHEMBL1178043

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CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178043
Phase Preclinical
Structure Type MOL
InChI Key RUJXRVMNLBFCQV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

595.9
MW (Da)
8.14
ALogP
6
HBA
1
HBD
77.7
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H59N2O5S+
MW 595.91
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 0.26

Data from ChEMBL 36 via Core Engine