Molecule card · MolClass #51318
16953775
16953775: 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
- 16953775Mitochondrial Fusion · compound_name
- MolClass ID
- 51318
- InChIKey
- WFLUQAWXQYCYCH-UHFFFAOYSA-N
- Canonical SMILES
- CCN2CCc3nc(NC(=O)c1ccccc1)sc3(C2)
- Standard InChI
- InChI=1S/C15H17N3OS/c1-2-18-9-8-12-13(10-18)20-15(16-12)17-14(19)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17,19)
- Stored Murcko scaffold
- n1c(sc2c1CCNC2)N[CH]c3ccccc3
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.
- 24837507#31169
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.511
- 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 · 16953775