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Compound Detail

CHEMBL2347329

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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccccc3C(F)(F)F)cc2)[nH]1)C(C)C

Basic Information

ChEMBL ID CHEMBL2347329
Phase Preclinical
Structure Type MOL
InChI Key LRXRICXCJVCSDK-GOTSBHOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
5.81
ALogP
4
HBA
2
HBD
87.3
PSA (Ų)
0.43
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29F3N4O3
MW 514.55
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.86

Literature References

Data from ChEMBL 36 via Core Engine