Molecule card · MolClass #49673
24787359
24787359: 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
- 24787359Mitochondrial Fusion · compound_name
- MolClass ID
- 49673
- InChIKey
- SSCACFNNUBRQSY-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)NC(NCCCc2ccccc2)=S
- Standard InChI
- InChI=1S/C18H22N2OS/c1-2-21-17-12-10-16(11-13-17)20-18(22)19-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H2,19,20,22)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NCCCc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.255
- 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 · 24787359