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Compound Detail

CHEMBL1741062

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CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](CNC(=O)Cc3ccccc3)[C@H]2S1(=O)=O

Basic Information

ChEMBL ID CHEMBL1741062
Phase Preclinical
Structure Type MOL
InChI Key IKLCKDDDWNMRJN-OSAQELSMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
-0.21
ALogP
5
HBA
2
HBD
120.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O6S
MW 380.42
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine