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Compound Detail

CHEMBL1178067

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CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178067
Phase Preclinical
Structure Type MOL
InChI Key WURIOLSVFPRDJG-KGPRPGCCSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

616.9
MW (Da)
8.49
ALogP
5
HBA
1
HBD
88.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H62N3O5+
MW 616.91
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine