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Compound Detail

CHEMBL1206728

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COc1cc(C/C(C(=O)c2cc(OC)c(OC)c(OC)c2)=C(/C(=O)O)c2ccc3nsnc3c2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL1206728
Phase Preclinical
Structure Type MOL
InChI Key PDGXFSPRZBDLKL-BWAHOGKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

580.6
MW (Da)
4.71
ALogP
11
HBA
1
HBD
135.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N2O9S
MW 580.62
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.25

Data from ChEMBL 36 via Core Engine