Molecule card · MolClass #45802
24825691
24825691: 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
- 24825691Mitochondrial Fusion · compound_name
- MolClass ID
- 45802
- InChIKey
- LHVLCZBZVVEJMJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCCc2nc1ccccc1s2)NC3CCOC3(=O)
- Standard InChI
- InChI=1S/C15H16N2O3S/c18-13(16-11-8-9-20-15(11)19)6-3-7-14-17-10-4-1-2-5-12(10)21-14/h1-2,4-5,11H,3,6-9H2,(H,16,18)
- Stored Murcko scaffold
- n1c(sc2ccccc12)CCC[CH]NC3[CH]OCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.691
- 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 · 24825691