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Compound Detail

CHEMBL1199215

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Nc1nc(-n2cc(-c3cccc(O)c3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL1199215
Phase Preclinical
Structure Type MOL
InChI Key QJEOCSDHLUOISI-AGFSROSKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

625.6
MW (Da)
-0.62
ALogP
17
HBA
6
HBD
262.9
PSA (Ų)
0.13
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N9O9S
MW 625.58
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine