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Compound Detail

CHEMBL4301745

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CC(C)C[C@H](NC(=O)OC1CCN(S(C)(=O)=O)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O

Basic Information

ChEMBL ID CHEMBL4301745
Phase Preclinical
Structure Type MOL
InChI Key HXZRMRVHDZAUPL-AOTTWXCTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

556.7
MW (Da)
-1.23
ALogP
9
HBA
5
HBD
208.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36N4O10S2
MW 556.66
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine