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Compound Detail

CHEMBL1205938

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O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(F)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205938
Phase Preclinical
Structure Type MOL
InChI Key GBQIPKICNHWJFY-DUXPYHPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.2
MW (Da)
4.87
ALogP
4
HBA
3
HBD
125.3
PSA (Ų)
0.30
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 C18H10Cl2FN3O5
MW 438.20
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine