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Compound Detail

CHEMBL1199703

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N#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL1199703
Phase Preclinical
Structure Type MOL
InChI Key WDMLAXZJWYFTMB-QCNRFFRDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.2
MW (Da)
-1.68
ALogP
12
HBA
5
HBD
230.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3O12P2
MW 457.23
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.08

Data from ChEMBL 36 via Core Engine