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Compound Detail

CHEMBL1387761

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CC(=O)n1cc([C@@H]2C=C(C(=O)Nc3ccccc3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1387761
Phase Preclinical
Structure Type MOL
InChI Key GBDNDLPRUVYQTN-BTYSJIOQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
5.36
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N2O5
MW 496.56
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine