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Compound Detail

CHEMBL3040190

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CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL3040190
Phase Preclinical
Structure Type MOL
InChI Key PWAGCAHROLSWAO-ITWZMISCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
5.28
ALogP
4
HBA
3
HBD
90.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28FNO4
MW 449.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine