Molecule card · MolClass #43521
860675
860675: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 860675Mitochondrial Fusion · compound_name
- MolClass ID
- 43521
- InChIKey
- QPIOHWQOBCJVBE-UHFFFAOYSA-N
- Canonical SMILES
- Nc2nc(NC(=O)Cc1ccccc1)nn2c3ccccc3
- Standard InChI
- InChI=1S/C16H15N5O/c17-15-19-16(20-21(15)13-9-5-2-6-10-13)18-14(22)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19,20,22)
- Stored Murcko scaffold
- n1cn(nc1N[CH]Cc2ccccc2)-c3ccccc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.247
- 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 · 860675