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Compound Detail

CHEMBL3040091

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N=C(Nc1ccc(-c2cccc(-c3cccc(NC(=N)c4ccccn4)c3)c2)cc1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040091
Phase Preclinical
Structure Type MOL
InChI Key AMPYYUJUQMZYJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
6.69
ALogP
4
HBA
4
HBD
97.5
PSA (Ų)
0.16
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H24N6
MW 468.56
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine