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Compound Detail

CHEMBL1789313

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N=C(N)c1ccc(-c2ccc3cc(-c4cnccc4C(=N)N)[nH]c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789313
Phase Preclinical
Structure Type MOL
InChI Key SZECCNIYJCUPQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.47
ALogP
3
HBA
5
HBD
128.4
PSA (Ų)
0.28
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 C21H18N6
MW 354.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine