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Compound Detail

CHEMBL1200114

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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)Oc3cccc(Cl)c3)[C@@H](O)[C@H]2O)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL1200114
Phase Preclinical
Structure Type MOL
InChI Key AGGOCBBDZCKITM-FMKGYKFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.7
MW (Da)
0.12
ALogP
11
HBA
5
HBD
206.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17ClN2O12P2
MW 514.70
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.85

Data from ChEMBL 36 via Core Engine