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Compound Detail

CHEMBL1186956

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CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/CCC(CCCc1ccoc1)COS(=O)(=O)O

Basic Information

ChEMBL ID CHEMBL1186956
Phase Preclinical
Structure Type MOL
InChI Key GCCDIQCRJHCDFR-RVGQIHGBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.7
MW (Da)
6.93
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H40O5S
MW 452.66
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 2.82

Data from ChEMBL 36 via Core Engine