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Compound Detail

CHEMBL1178316

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CC[N+](C)(CCCCCC(=O)N1CCC(CCC2CCN(C(=O)CCCCC[N+](C)(CC)Cc3ccccc3OC)CC2)CC1)Cc1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178316
Phase Preclinical
Structure Type MOL
InChI Key MKZBCJVAPJMUCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

749.1
MW (Da)
8.72
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H76N4O4+2
MW 749.14
Aromatic Rings 2
Heavy Atoms 54
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine