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Compound Detail

CHEMBL3040061

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N=C(N)c1ccc(-c2cc(N)cc(-c3ccc(C(=N)N)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040061
Phase Preclinical
Structure Type MOL
InChI Key NGEZZURGVPBAIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.17
ALogP
3
HBA
5
HBD
125.8
PSA (Ų)
0.29
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 C20H19N5
MW 329.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine