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Compound Detail

CHEMBL3623916

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Cc1cccc(-n2cc(-c3cc(C(=O)O)ccn3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3623916
Phase Preclinical
Structure Type MOL
InChI Key YKPKKCSGAGUQSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
2.34
ALogP
5
HBA
1
HBD
80.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N4O2
MW 280.29
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.70

Data from ChEMBL 36 via Core Engine