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Compound Detail

CHEMBL1199754

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COc1ccc(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1

Basic Information

ChEMBL ID CHEMBL1199754
Phase Preclinical
Structure Type MOL
InChI Key LMTVZQOILPBANZ-NMFUWQPSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.3
MW (Da)
-0.52
ALogP
12
HBA
5
HBD
216.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O13P2
MW 510.29
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 1.14

Data from ChEMBL 36 via Core Engine