Molecule card · MolClass #49506
24798209
24798209: 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
- 24798209Mitochondrial Fusion · compound_name
- MolClass ID
- 49506
- InChIKey
- YTMISJFWWDMMBU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1C(=O)NC(NCCC2=CCCCC2)=S
- Standard InChI
- InChI=1S/C17H22N2OS/c1-13-7-5-6-10-15(13)16(20)19-17(21)18-12-11-14-8-3-2-4-9-14/h5-8,10H,2-4,9,11-12H2,1H3,(H2,18,19,20,21)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N[CH]NCCC2=CCCCC2
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.
- 24796342#49521
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.436 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.045
- 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 · 24798209