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Compound Detail

CHEMBL1180054

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CCCCCCCCCCCCCCCOC(=O)NCCOCCOC(=O)NCc1cccc[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180054
Phase Preclinical
Structure Type MOL
InChI Key KZSLLSPMGZJCDS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.8
MW (Da)
6.05
ALogP
5
HBA
2
HBD
89.8
PSA (Ų)
0.13
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 C29H52N3O5+
MW 522.75
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine