Molecule card · MolClass #49322
24811518
24811518: 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
- 24811518Mitochondrial Fusion · compound_name
- MolClass ID
- 49322
- InChIKey
- RUAJRKRPPGDWBK-UHFFFAOYSA-N
- Canonical SMILES
- NCCc4c1ccccc1n(c2ccccc2)c4(c3ccccc3)
- Standard InChI
- InChI=1S/C22H20N2/c23-16-15-20-19-13-7-8-14-21(19)24(18-11-5-2-6-12-18)22(20)17-9-3-1-4-10-17/h1-14H,15-16,23H2
- Stored Murcko scaffold
- c1ccc(cc1)-c2cc3ccccc3n2-c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.233
- 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 · 24811518