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Compound Detail

CHEMBL111603

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O=S(=O)(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

Basic Information

ChEMBL ID CHEMBL111603
Phase Preclinical
Structure Type MOL
InChI Key LMTTVLNAUAWVSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
3.70
ALogP
7
HBA
2
HBD
111.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26F3N5O4S
MW 549.58
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.64

Data from ChEMBL 36 via Core Engine