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Compound Detail

CHEMBL1180776

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CCCCCCCCCCCCCCOc1ccc(C)cc1CN(C(C)=O)c1cccc(C[n+]2csc(C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180776
Phase Preclinical
Structure Type MOL
InChI Key QZNWQZSIGQKWGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

563.9
MW (Da)
9.33
ALogP
3
HBA
0
HBD
33.4
PSA (Ų)
0.11
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 C35H51N2O2S+
MW 563.87
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine