Molecule card · MolClass #48280
14738908
14738908: 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
- 14738908Mitochondrial Fusion · compound_name
- MolClass ID
- 48280
- InChIKey
- LTAZELVXQRKVBB-SQFISAMPSA-N
- Canonical SMILES
- CN4C(=O)CSC4(=NC23(CC1CC(CC(C1)C2)C3))
- Standard InChI
- InChI=1S/C14H20N2OS/c1-16-12(17)8-18-13(16)15-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-8H2,1H3/b15-13-
- Stored Murcko scaffold
- [N]1[CH]CSC1=NC23CC4CC(CC(C4)C2)C3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.28
- 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 · 14738908