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Compound Detail

CHEMBL1178368

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CCN1/C(=C\C=C2CC[n+]3c2n(CC)c2cc4ccccc4cc23)Oc2ccccc21

Basic Information

ChEMBL ID CHEMBL1178368
Phase Preclinical
Structure Type MOL
InChI Key MXTFAWQQCGBPDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
5.65
ALogP
3
HBA
0
HBD
21.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N3O+
MW 408.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine