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Compound Detail

CHEMBL1180871

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CCCCCCCCCCCCCCOc1ccc(CN(C(=O)NC)c2cccc(C[n+]3csc(C)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180871
Phase Preclinical
Structure Type MOL
InChI Key GZXUUIAGOBKZBK-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

564.9
MW (Da)
8.82
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H50N3O2S+
MW 564.86
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine