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Compound Detail

CHEMBL1198707

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Nc1ccccc1-c1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1

Basic Information

ChEMBL ID CHEMBL1198707
Phase Preclinical
Structure Type MOL
InChI Key BILNDUOMNMUMMS-AGFSROSKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

624.6
MW (Da)
-0.75
ALogP
17
HBA
6
HBD
268.7
PSA (Ų)
0.12
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 C25H24N10O8S
MW 624.60
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine