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Compound Detail

CHEMBL1186112

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CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](OS(=O)(=O)O)[C@H](C)CCC/C(C)=C/Cc1cc(O)ccc1O

Basic Information

ChEMBL ID CHEMBL1186112
Phase Preclinical
Structure Type MOL
InChI Key VCFONRYZIFVUGC-JWMGXGOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.8
MW (Da)
7.77
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C31H48O6S
MW 548.79
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 2.74

Data from ChEMBL 36 via Core Engine