Molecule card · MolClass #49621
24790339
24790339: 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
- 24790339Mitochondrial Fusion · compound_name
- MolClass ID
- 49621
- InChIKey
- WEIJHIKGHDELEJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCCc1c(ccs1)N=Nc3c(O)ccc2ccccc23
- Standard InChI
- InChI=1S/C18H16N2O3S/c21-15-9-8-12-4-1-2-5-13(12)18(15)20-19-14-10-11-24-16(14)6-3-7-17(22)23/h1-2,4-5,8-11,21H,3,6-7H2,(H,22,23)
- Stored Murcko scaffold
- N(=Nc1cccc2ccccc12)c3cscc3
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.
- 24790338#49622
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.341
- 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 · 24790339