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Compound Detail

CHEMBL449208

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C[N+]1=C2C=C(N)C(=O)c3[nH]cc(c32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449208
Phase Preclinical
Structure Type MOL
InChI Key QTFWETYHWQLXMW-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
0.04
ALogP
2
HBA
2
HBD
61.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H12N3O+
MW 202.24
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 2.85

Data from ChEMBL 36 via Core Engine