Molecule card · MolClass #48990
24833929
24833929: 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
- 24833929Mitochondrial Fusion · compound_name
- MolClass ID
- 48990
- InChIKey
- IVHFBUCVWWDDKU-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)CNCCNC(NC2CCCCC2)=S
- Standard InChI
- InChI=1S/C16H25N3S/c20-16(19-15-9-5-2-6-10-15)18-12-11-17-13-14-7-3-1-4-8-14/h1,3-4,7-8,15,17H,2,5-6,9-13H2,(H2,18,19,20)
- Stored Murcko scaffold
- c1ccc(cc1)CNCCN[CH]NC2CCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.456 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.277
- 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 · 24833929