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Compound Detail

CHEMBL1195489

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O=C(Nc1cccc(Cl)c1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195489
Phase Preclinical
Structure Type MOL
InChI Key BMZNMGAWFZXWFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.8
MW (Da)
3.53
ALogP
10
HBA
3
HBD
182.6
PSA (Ų)
0.27
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 C20H13ClN6O7
MW 484.81
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.45

Data from ChEMBL 36 via Core Engine