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Compound Detail

CHEMBL5221694

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Cc1cccc([N+]2=Cc3c(c4cc(C)ccc4n3C)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221694
Phase Preclinical
Structure Type MOL
InChI Key PTFRAVXYRSMZNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
4.11
ALogP
1
HBA
0
HBD
7.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N2+
MW 289.40
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine