Molecule card · MolClass #36320

24785656

24785656: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 24785656Mitochondrial Fusion · compound_name
MolClass ID: 36320
InChIKey: PGSBLIOCWDIEIB-UHFFFAOYSA-N
Canonical SMILES: CC=1C=CN2C(=O)C=C(C)N=C2(C=1)
Standard InChI: InChI=1S/C10H10N2O/c1-7-3-4-12-9(5-7)11-8(2)6-10(12)13/h3-6H,1-2H3
Stored Murcko scaffold: N=1C=C[CH]N2C=CC=CC12

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.

1190958#12922
22413835#26107
14740017#26183
26727929#26590
26666674#31706
14724171#35889
17513523#36029

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: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 32.67 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 174.2 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.527; 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.

Mitochondrial Fusion
Dataset #19 · 24785656