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Compound Detail

CHEMBL3981627

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c1ccc(NCc2cccc(CNc3ccccn3)c2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3981627
Phase Preclinical
Structure Type MOL
InChI Key IFIICJIEYBMUID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
3.70
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4
MW 290.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine