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Compound Detail

CHEMBL1205090

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COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205090
Phase Preclinical
Structure Type MOL
InChI Key GAKQDXZHZRHZNZ-ULJHMMPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

555.0
MW (Da)
5.34
ALogP
9
HBA
1
HBD
117.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23ClN2O7S
MW 555.01
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine