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Compound Detail

CHEMBL1178062

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CCCCCCCCCCCCCCCCCCNC(=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 CHEMBL1178062
Phase Preclinical
Structure Type MOL
InChI Key QYEIOHNJEHAWMZ-CZNDPXEESA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

635.0
MW (Da)
8.34
ALogP
6
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 C35H60N3O5S+
MW 634.95
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine