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Compound Detail

CHEMBL2347339

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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N=[N+]=[N-])cc3)cc2)[nH]1)C(C)C

Basic Information

ChEMBL ID CHEMBL2347339
Phase Preclinical
Structure Type MOL
InChI Key OTWOSCTWIJHWKB-GOTSBHOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
5.73
ALogP
5
HBA
2
HBD
136.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N7O3
MW 487.56
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.69

Literature References

Data from ChEMBL 36 via Core Engine