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Compound Detail

CHEMBL1181091

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c1ccc2c(c1)cnn2Nc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181091
Phase Preclinical
Structure Type MOL
InChI Key FVGVWOXQWDAFTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
2.31
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N4
MW 210.24
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.22

Data from ChEMBL 36 via Core Engine