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Compound Detail

CHEMBL1205049

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

Basic Information

ChEMBL ID CHEMBL1205049
Phase Preclinical
Structure Type MOL
InChI Key ODMQQVMKHYIBQR-QRAAAHBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
-0.93
ALogP
7
HBA
3
HBD
154.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O7S
MW 419.42
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine