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Compound Detail

CHEMBL1181323

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CC(c1ccc2ccccc2c1)c1ncc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181323
Phase Preclinical
Structure Type MOL
InChI Key WVDIRTLHBANRPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
3.71
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.70
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 C15H14N2
MW 222.29
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine