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Compound Detail

CHEMBL4802570

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CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1

Basic Information

ChEMBL ID CHEMBL4802570
Phase Preclinical
Structure Type MOL
InChI Key UYDTVURQQQIWQU-RVHOTRNTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
1.09
ALogP
5
HBA
4
HBD
129.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21FN2O5S
MW 396.44
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine