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Compound Detail

CHEMBL5500022

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COc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)NS(C)(=O)=O)CCC3)c(F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5500022
Phase Preclinical
Structure Type MOL
InChI Key URHRIFUMIBUHCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
3.14
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F2N2O5S
MW 450.46
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine