Molecule card · MolClass #46114
14741258
14741258: 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
- 14741258Mitochondrial Fusion · compound_name
- MolClass ID
- 46114
- InChIKey
- NFUCNAREVSTFNC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CC2NC(N(c1ccccc1)C2(=O))=S
- Standard InChI
- InChI=1S/C11H10N2O3S/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]NC[CH]2
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.
- LOPAC 01096#806
- 853006#48574
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.404
- 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 · 14741258