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Compound Detail

CHEMBL1206236

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CC(C)c1c(S(=O)(=O)N2CCSCC2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL1206236
Phase Preclinical
Structure Type MOL
InChI Key IKPHTPMSGDEMSI-JWQCQUIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

622.8
MW (Da)
4.94
ALogP
7
HBA
3
HBD
120.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36F2N2O6S2
MW 622.76
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine