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Compound Detail

CHEMBL3040042

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N=C(N)c1ccc(-c2cccc(-c3cccc(C(=N)N)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040042
Phase Preclinical
Structure Type MOL
InChI Key ZHWDUGWRVKOQEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.59
ALogP
2
HBA
4
HBD
99.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4
MW 314.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine