Molecule card · MolClass #42062
863550
863550: 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
- 863550Mitochondrial Fusion · compound_name
- MolClass ID
- 42062
- InChIKey
- HWODASHKPGNKIO-CLFYSBASSA-N
- Canonical SMILES
- CC(=O)NC2=NC(=O)C(=CN1CCCCC1)S2
- Standard InChI
- InChI=1S/C11H15N3O2S/c1-8(15)12-11-13-10(16)9(17-11)7-14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,15,16)/b9-7-
- Stored Murcko scaffold
- N1=CSC([CH]1)=CN2CCCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.351
- 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 · 863550