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Compound Detail

CHEMBL3040960

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CNc1cc(/C=C/c2c(C)[nH]c3ccccc23)[n+](C)c2ccccc12

Basic Information

ChEMBL ID CHEMBL3040960
Phase Preclinical
Structure Type MOL
InChI Key SMXTVTKALJLBPD-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.67
ALogP
1
HBA
2
HBD
31.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N3+
MW 328.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine