Molecule card · MolClass #47985
24816132
24816132: 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
- 24816132Mitochondrial Fusion · compound_name
- MolClass ID
- 47985
- InChIKey
- RAAAIHSZJVFTCV-BMRADRMJSA-N
- Canonical SMILES
- CN3c1ccccc1SC3(=NNC(=O)C2CCCCC2)
- Standard InChI
- InChI=1S/C15H19N3OS/c1-18-12-9-5-6-10-13(12)20-15(18)17-16-14(19)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,19)/b17-15+
- Stored Murcko scaffold
- N(N[CH]C1CCCCC1)=C2Sc3ccccc3N2
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
- 4
- 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
- 70 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.64
- 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 · 24816132