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Compound Detail

CHEMBL1185249

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CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccc(F)cc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185249
Phase Preclinical
Structure Type MOL
InChI Key UWFZITVNSLTPGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.4
MW (Da)
6.37
ALogP
6
HBA
2
HBD
106.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20Cl2FN5O2S
MW 544.44
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine