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Compound Detail

CHEMBL1229168

CALMIDAZOLIUM
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Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229168
Name CALMIDAZOLIUM
Phase Preclinical
Structure Type MOL
InChI Key CTKNMSVWMRRCPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

652.3
MW (Da)
10.29
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H23Cl6N2O+
MW 652.26
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine