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Compound Detail

CHEMBL3800716

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N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

Basic Information

ChEMBL ID CHEMBL3800716
Phase Preclinical
Structure Type MOL
InChI Key IUTNWCFWEUSRCR-VABKMULXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
2.72
ALogP
6
HBA
1
HBD
142.4
PSA (Ų)
0.34
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 C26H28F2N8O2
MW 522.56
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine