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Compound Detail

CHEMBL1183827

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CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C

Basic Information

ChEMBL ID CHEMBL1183827
Phase Preclinical
Structure Type MOL
InChI Key RTYOHMFZZPUBBL-DARPEHSRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
2.46
ALogP
6
HBA
1
HBD
111.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N5O3S2+
MW 474.63
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine