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Compound Detail

CHEMBL2009474

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COc1ccc(-c2nc(N)n(C)c2SSc2c(-c3ccc(OC)cc3)nc(N)n2C)cc1

Basic Information

ChEMBL ID CHEMBL2009474
Phase Preclinical
Structure Type MOL
InChI Key GBYNZTPAERUJGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
4.47
ALogP
10
HBA
2
HBD
106.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H24N6O2S2
MW 468.61
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine