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Compound Detail

CHEMBL1198605

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Nc1nc(-c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL1198605
Phase Preclinical
Structure Type MOL
InChI Key CSMBFVQVRVUQMI-CXIOKZBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

542.5
MW (Da)
0.09
ALogP
13
HBA
5
HBD
212.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6O8S
MW 542.53
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine