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Compound Detail

CHEMBL1179641

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c1ccc2c(c1)C1CC(c3cc[nH]n3)(c3cc[nH]n3)C2c2cccc[n+]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179641
Phase Preclinical
Structure Type MOL
InChI Key IVOFFAKJHVLAMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.85
ALogP
2
HBA
2
HBD
61.2
PSA (Ų)
0.55
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 C21H18N5+
MW 340.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine