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Compound Detail

CHEMBL1852006

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CC1(C)CCC[C@]2(C)[C@H]3CC/C(=C\OS(=O)(=O)O)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12

Basic Information

ChEMBL ID CHEMBL1852006
Phase Preclinical
Structure Type MOL
InChI Key WGQUKTHZSJRQFE-GEODRWFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
6.57
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H38O5S
MW 450.64
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 2.74

Data from ChEMBL 36 via Core Engine