Molecule card · MolClass #41026
864258
864258: 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
- 864258Mitochondrial Fusion · compound_name
- MolClass ID
- 41026
- InChIKey
- LWVTZFJLQSYOSF-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC(CC1)c4nnc3n4(nc(c2ccccn2)s3)
- Standard InChI
- InChI=1S/C14H15N5S/c1-2-6-10(7-3-1)12-16-17-14-19(12)18-13(20-14)11-8-4-5-9-15-11/h4-5,8-10H,1-3,6-7H2
- Stored Murcko scaffold
- n1nc(n2nc(sc12)-c3ncccc3)C4CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.101
- 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 · 864258