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Compound Detail

CHEMBL1195409

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

Basic Information

ChEMBL ID CHEMBL1195409
Phase Preclinical
Structure Type MOL
InChI Key IPLLUVXKUQLDGV-QMMMGPOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
0.90
ALogP
8
HBA
4
HBD
158.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4O6
MW 322.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine