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Compound Detail

CHEMBL1192177

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C[C@@H](NCc1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192177
Phase Preclinical
Structure Type MOL
InChI Key KHDFISMPMZUUKU-RXMQYKEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.2
MW (Da)
0.51
ALogP
8
HBA
4
HBD
158.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N4O6
MW 308.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine