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Compound Detail

CHEMBL1206863

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Cn1nnnc1C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)=C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206863
Phase Preclinical
Structure Type MOL
InChI Key FAQRMZMWVOGCTE-WTWCKAPFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.31
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O4
MW 420.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine