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Compound Detail

CHEMBL4596415

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C[n+]1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3cc[n+](C)c4ccccc34)ncn2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL4596415
Phase Preclinical
Structure Type MOL
InChI Key DXNLRLMNLBYEDM-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
1.96
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N8O2+2
MW 504.55
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine