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Compound Detail

CHEMBL1200227

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[N-]=[N+]=N[C@@H]1CN[C@@H](C(=O)C[C@@H](CCC/N=C(\N)N[N+](=O)[O-])C(N)=O)C1

Basic Information

ChEMBL ID CHEMBL1200227
Phase Preclinical
Structure Type MOL
InChI Key FFVKGWXPOSRUAD-HRDYMLBCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
-1.04
ALogP
7
HBA
4
HBD
214.5
PSA (Ų)
0.06
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H21N9O4
MW 355.36
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.45

Data from ChEMBL 36 via Core Engine