Structure of molecule 782

Molecule card · MolClass #782

LOPAC 01076

LOPAC 01076: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

4 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
3-Morpholinosydnonimine hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
9859122P.falciparum Sensitivity · compound_name
855882Antifungal Pump Inhibitors · compound_name
46500330Antifungal Pump Inhibitors · compound_name
MolClass ID
782
InChIKey
FKDHHVKWGRFRTG-UHFFFAOYSA-N
Canonical SMILES
[N-]c1c[n+](no1)N2CCOCC2
Standard InChI
InChI=1S/C6H10N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5,7H,1-4H2
Stored Murcko scaffold
n1occ[n+]1N2CCOCC2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
1
CDK 2.12 · 2026-08-19
Topological polar surface area
42.38 Ų
CDK 2.12 · 2026-08-19
Molecular weight
170.169 g/mol
CDK 2.12 · 2026-08-19
XLogP
-0.684
CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Compound induced Neuronal Stem Cell Differentiation

    Dataset #1 · 812

  • P.falciparum Sensitivity

    Dataset #8 · 9859122

  • Antifungal Pump Inhibitors

    Dataset #18 · 46500330

  • Antifungal Pump Inhibitors

    Dataset #18 · 855882