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Compound Detail

CHEMBL1199182

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Cc1ccc(-c2cn(-c3nc(N)c4ncn([C@@H]5O[C@H](COS(=O)(=O)NC(=O)c6ccccc6O)[C@@H](O)[C@H]5O)c4n3)nn2)cc1

Basic Information

ChEMBL ID CHEMBL1199182
Phase Preclinical
Structure Type MOL
InChI Key LDSHXQALDCKSQV-GUQHISFFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

623.6
MW (Da)
-0.02
ALogP
16
HBA
5
HBD
242.7
PSA (Ų)
0.15
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 C26H25N9O8S
MW 623.61
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine