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Compound Detail

CHEMBL4595933

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Brc1ccc(Cn2c(Br)nnc2SCc2nnn[nH]2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL4595933
Phase Preclinical
Structure Type MOL
InChI Key RBJOSACTQMOCBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.2
MW (Da)
3.81
ALogP
7
HBA
1
HBD
85.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11Br2N7S
MW 481.18
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.15

Data from ChEMBL 36 via Core Engine