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Compound Detail

CHEMBL1178052

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CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178052
Phase Preclinical
Structure Type MOL
InChI Key KICHXKWDALFYSK-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

656.0
MW (Da)
9.95
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H63N2O4S+
MW 656.01
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine