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Compound Detail

CHEMBL1197180

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NC(N)=N/N=C1\c2cc(F)ccc2CC1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197180
Phase Preclinical
Structure Type MOL
InChI Key IJIWLODRZYWTOC-HZHRSRAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.30
ALogP
6
HBA
3
HBD
148.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14FN7O2S
MW 399.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine