Molecule card · MolClass #48885
24841745
24841745: 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
- 24841745Mitochondrial Fusion · compound_name
- MolClass ID
- 48885
- InChIKey
- YDXFMKOFFXBPLW-CQSZACIVSA-N
- Canonical SMILES
- CCCCC2CNC(N2(CCc1cccc(F)c1))=S
- Standard InChI
- InChI=1S/C15H21FN2S/c1-2-3-7-14-11-17-15(19)18(14)9-8-12-5-4-6-13(16)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3,(H,17,19)/t14-/m1/s1
- Stored Murcko scaffold
- c1ccc(cc1)CCN2[CH]NCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.583
- 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 · 24841745