Molecule card · MolClass #41018
24797011
24797011: 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
- 24797011Mitochondrial Fusion · compound_name
- MolClass ID
- 41018
- InChIKey
- FKJOTFPQZUSRBE-UHFFFAOYSA-N
- Canonical SMILES
- Oc2c1c(CCS1)nc3cc(nn23)c4ccccc4Cl
- Standard InChI
- InChI=1S/C14H10ClN3OS/c15-9-4-2-1-3-8(9)11-7-12-16-10-5-6-20-13(10)14(19)18(12)17-11/h1-4,7,19H,5-6H2
- Stored Murcko scaffold
- n1c2cc(nn2cc3SCCc13)-c4ccccc4
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.
- 17408836#28502
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.768 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.953
- 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 · 24797011