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Compound Detail

CHEMBL232200

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CC1(C)NC(=O)N(C/C(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)=N/O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232200
Phase Preclinical
Structure Type MOL
InChI Key XRXOKKLROFIKEH-YSMPRRRNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.4
MW (Da)
3.79
ALogP
6
HBA
2
HBD
100.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F3N3O5
MW 451.40
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
17391963 10.1016/j.bmcl.2007.03.042 Baculoviral IAP repeat-containing protein 5 1

Data from ChEMBL 36 via Core Engine