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Compound Detail

CHEMBL5959545

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CCCC[S+]([O-])N[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1

Basic Information

ChEMBL ID CHEMBL5959545
Phase Preclinical
Structure Type MOL
InChI Key HZKHPCQKDCTMTB-KIVAYBLUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
2.67
ALogP
5
HBA
4
HBD
127.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H33N2O5PS
MW 444.53
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.70

Data from ChEMBL 36 via Core Engine