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Compound Detail

CHEMBL1205026

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O=C(/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@H]2S(=O)(=O)C1)NC1CC1

Basic Information

ChEMBL ID CHEMBL1205026
Phase Preclinical
Structure Type MOL
InChI Key FRQJSWHUYVTOFV-FKODRXNDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
0.24
ALogP
6
HBA
2
HBD
133.7
PSA (Ų)
0.52
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 C19H17N3O6S
MW 415.43
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine