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Compound Detail

CHEMBL3040049

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N=C(N)c1cccc(-c2cc(Cl)cc(-c3cccc(C(=N)N)c3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040049
Phase Preclinical
Structure Type MOL
InChI Key YAGPHQYVKMITDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.8
MW (Da)
4.24
ALogP
2
HBA
4
HBD
99.7
PSA (Ų)
0.42
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 C20H17ClN4
MW 348.84
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine