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Compound Detail

CHEMBL1198603

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COC(=O)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 CHEMBL1198603
Phase Preclinical
Structure Type MOL
InChI Key RGXRCUAAQRMPSQ-QEPJRFBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

591.5
MW (Da)
-2.21
ALogP
18
HBA
5
HBD
269.0
PSA (Ų)
0.14
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 C21H21N9O10S
MW 591.52
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine