Molecule card · MolClass #47560
14732998
14732998: 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
- 14732998Mitochondrial Fusion · compound_name
- MolClass ID
- 47560
- InChIKey
- FSHBMFPMLNKKDH-UHFFFAOYSA-N
- Canonical SMILES
- CC2Cc1ccccc1N2C(=O)C4=CN=C3N(C=CS3)C4(=O)
- Standard InChI
- InChI=1S/C16H13N3O2S/c1-10-8-11-4-2-3-5-13(11)19(10)15(21)12-9-17-16-18(14(12)20)6-7-22-16/h2-7,9-10H,8H2,1H3
- Stored Murcko scaffold
- N=1C=C([CH]N2C=CSC12)[CH]N3c4ccccc4CC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.232
- 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 · 14732998