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Compound Detail

CHEMBL1196590

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CC(N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196590
Phase Preclinical
Structure Type MOL
InChI Key ZZLJUUCFYIBWJN-LQCDLOPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
6.13
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27F3N2O2
MW 456.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine