Molecule card · MolClass #44311
24799367
24799367: 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
- 24799367Mitochondrial Fusion · compound_name
- MolClass ID
- 44311
- InChIKey
- TVYFVBMHBODODB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccn3c(CN(C)C(C)c1nc(C)sc1(C))c(nc23)C(=O)N4CCCCC4
- Standard InChI
- InChI=1S/C23H31N5OS/c1-15-10-9-13-28-19(14-26(5)16(2)20-17(3)30-18(4)24-20)21(25-22(15)28)23(29)27-11-7-6-8-12-27/h9-10,13,16H,6-8,11-12,14H2,1-5H3
- Stored Murcko scaffold
- n1cscc1CNCc2c(nc3ccccn32)[CH]N4CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 425.592 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.252
- 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 · 24799367