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Compound Detail

CHEMBL2347164

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

Basic Information

ChEMBL ID CHEMBL2347164
Phase Preclinical
Structure Type MOL
InChI Key UULYYFBHJFDPME-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
3.13
ALogP
5
HBA
2
HBD
96.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O4
MW 400.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.78

Literature References

Data from ChEMBL 36 via Core Engine