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Compound Detail

CHEMBL3039795

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CC(C)c1c(/C=C/[C@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)cn1C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039795
Phase Preclinical
Structure Type MOL
InChI Key ZWIPFIHQXHUPPL-JSJGNVMISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
5.52
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.48
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 C26H34FNO4
MW 443.56
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine