Molecule card · MolClass #49026
24827410
24827410: 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
- 24827410Mitochondrial Fusion · compound_name
- MolClass ID
- 49026
- InChIKey
- SPKSSALBHLGZDX-UHFFFAOYSA-N
- Canonical SMILES
- C1CCCC(CC1)=NNC(NCCc2ccccc2)=S
- Standard InChI
- InChI=1S/C16H23N3S/c20-16(17-13-12-14-8-4-3-5-9-14)19-18-15-10-6-1-2-7-11-15/h3-5,8-9H,1-2,6-7,10-13H2,(H2,17,19,20)
- Stored Murcko scaffold
- N(N[CH]NCCc1ccccc1)=C2CCCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.437
- 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 · 24827410