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Compound Detail

CHEMBL4578154

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c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1

Basic Information

ChEMBL ID CHEMBL4578154
Phase Preclinical
Structure Type MOL
InChI Key MIJJBECNVSJLFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
3.78
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3
MW 245.29
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness -0.09

Literature References

Data from ChEMBL 36 via Core Engine