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Compound Detail

CHEMBL1180828

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

Basic Information

ChEMBL ID CHEMBL1180828
Phase Preclinical
Structure Type MOL
InChI Key MQOGVBNVNWJDTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

577.9
MW (Da)
9.81
ALogP
3
HBA
0
HBD
33.4
PSA (Ų)
0.09
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H53N2O2S+
MW 577.90
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.84

Data from ChEMBL 36 via Core Engine