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Compound Detail

CHEMBL1178055

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CCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178055
Phase Preclinical
Structure Type MOL
InChI Key AFNHHRFMFQNPDF-CONSDPRKSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

606.9
MW (Da)
7.56
ALogP
6
HBA
1
HBD
88.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H56N3O5S+
MW 606.89
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine