Molecule card · MolClass #37713
862387
862387: 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
- 862387Mitochondrial Fusion · compound_name
- MolClass ID
- 37713
- InChIKey
- SQBZVSZHPKOQSX-UHFFFAOYSA-N
- Canonical SMILES
- CC4(Nc1ccccc1c3nc2ccccc2n34)(c5ccccn5)
- Standard InChI
- InChI=1S/C20H16N4/c1-20(18-12-6-7-13-21-18)23-15-9-3-2-8-14(15)19-22-16-10-4-5-11-17(16)24(19)20/h2-13,23H,1H3
- Stored Murcko scaffold
- n1ccccc1C2Nc3ccccc3-c4nc5ccccc5n42
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.433
- 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 · 862387