Molecule card · MolClass #49636
24788717
24788717: 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
- 24788717Mitochondrial Fusion · compound_name
- MolClass ID
- 49636
- InChIKey
- UHCFNYOWAPDOSN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2CCN(C2)C(Nc3cccc(C)c3)=S
- Standard InChI
- InChI=1S/C19H22N2S/c1-14-6-8-16(9-7-14)17-10-11-21(13-17)19(22)20-18-5-3-4-15(2)12-18/h3-9,12,17H,10-11,13H2,1-2H3,(H,20,22)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N2CCC(c3ccccc3)C2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.458 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.134
- 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 · 24788717