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Compound Detail

CHEMBL1198125

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CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OS(=O)(=O)c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198125
Phase Preclinical
Structure Type MOL
InChI Key ZYZSPELNBSUFDD-QQNWGBJXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
5.65
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31NO4S
MW 477.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine