Molecule card · MolClass #51862
14724242
14724242: 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
- 14724242Mitochondrial Fusion · compound_name
- MolClass ID
- 51862
- InChIKey
- NZSQNBHONQZHHP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc5c(c1)c2CCCC4c2n5(CCCN4(Cc3ccccc3))
- Standard InChI
- InChI=1S/C23H26N2/c1-17-11-12-21-20(15-17)19-9-5-10-22-23(19)25(21)14-6-13-24(22)16-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,22H,5-6,9-10,13-14,16H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)CN2CCCn3c4ccccc4c5c3C2CCC5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 8.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.467 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.425
- 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 · 14724242