Molecule card · MolClass #36351
24811139
24811139: 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
- 24811139Mitochondrial Fusion · compound_name
- MolClass ID
- 36351
- InChIKey
- FVFBOOXTOBVBGN-XEQVNJCQSA-N
- Canonical SMILES
- CN2CCSC2(=CC=C1C(=O)N(C)C(N1(C))=S)
- Standard InChI
- InChI=1S/C11H15N3OS2/c1-12-6-7-17-9(12)5-4-8-10(15)14(3)11(16)13(8)2/h4-5H,6-7H2,1-3H3/b8-4-,9-5-
- Stored Murcko scaffold
- [N]1[CH][N]C([CH]1)=CC=C2SCCN2
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.866
- 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 · 24811139