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Compound Detail

CHEMBL3307063

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C=C(COS(=O)(=O)O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2OS(=O)(=O)O

Basic Information

ChEMBL ID CHEMBL3307063
Phase Preclinical
Structure Type MOL
InChI Key MPDXYGVLGCIKTI-SKESNUHASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

698.9
MW (Da)
5.45
ALogP
9
HBA
3
HBD
190.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H50O12S3
MW 698.92
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 2.14

Data from ChEMBL 36 via Core Engine