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Compound Detail

CHEMBL1162147

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O=C(O)C1=CS[C@@H]2/C(=C\c3cc4oc5c(n4n3)CCOC5)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1162147
Phase Preclinical
Structure Type MOL
InChI Key RLYFCCSEWJKCQN-LEPFTWFBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
1.22
ALogP
7
HBA
1
HBD
97.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11N3O5S
MW 345.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine