Molecule card · MolClass #35961
842277
842277: 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
- 842277Mitochondrial Fusion · compound_name
- MolClass ID
- 35961
- InChIKey
- MXLMWGVMQZOPLG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3c4ccccc4(NC(c1ccsc1)n3(n2))
- Standard InChI
- InChI=1S/C15H13N3S/c1-10-8-14-12-4-2-3-5-13(12)16-15(18(14)17-10)11-6-7-19-9-11/h2-9,15-16H,1H3
- Stored Murcko scaffold
- n1ccc2-c3ccccc3NC(c4cscc4)n12
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
- 2
- 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
- 58.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.351
- 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 · 842277