Molecule card · MolClass #49435
24804357
24804357: 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
- 24804357Mitochondrial Fusion · compound_name
- MolClass ID
- 49435
- InChIKey
- VDTSRZJXKJSTGC-UHFFFAOYSA-N
- Canonical SMILES
- Nc2nc(CSc1ccc(cc1)Cl)nc(n2)N3CCCCC3
- Standard InChI
- InChI=1S/C15H18ClN5S/c16-11-4-6-12(7-5-11)22-10-13-18-14(17)20-15(19-13)21-8-2-1-3-9-21/h4-7H,1-3,8-10H2,(H2,17,18,19,20)
- Stored Murcko scaffold
- n1cnc(nc1N2CCCCC2)CSc3ccccc3
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
- 5
- 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
- 93.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.857 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.629
- 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 · 24804357