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Compound Detail

CHEMBL1205934

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C=C1C(CSc2nnnn2C)=C(C(=O)O)N2C(=O)/C(=C/C(=O)OC(C)(C)C)[C@H]2S1(=O)=O

Basic Information

ChEMBL ID CHEMBL1205934
Phase Preclinical
Structure Type MOL
InChI Key ASLOPDAMIVLWFQ-DEBLGDTFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
0.02
ALogP
11
HBA
1
HBD
161.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5O7S2
MW 469.50
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine