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Compound Detail

CHEMBL1180980

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Cn1c(/C=N/O)[n+](C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180980
Phase Preclinical
Structure Type MOL
InChI Key JIINTMCQTYJJQW-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
0.81
ALogP
3
HBA
1
HBD
41.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12N3O+
MW 190.23
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine