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Compound Detail

CHEMBL535032

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N=C1C=C(N)C(=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL535032
Phase Preclinical
Structure Type MOL
InChI Key QDPCYPPJLOKHQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
1.09
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8N2O
MW 172.19
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 1.20

Data from ChEMBL 36 via Core Engine