Molecule card · MolClass #37407
14732118
14732118: 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
- 14732118Mitochondrial Fusion · compound_name
- MolClass ID
- 37407
- InChIKey
- ALUVTUHMZQJTQH-BMRADRMJSA-N
- Canonical SMILES
- CCCCCCCOC(O)=C3C(C)=Nc1ncnn1C3(c2cccs2)
- Standard InChI
- InChI=1S/C18H24N4O2S/c1-3-4-5-6-7-10-24-17(23)15-13(2)21-18-19-12-20-22(18)16(15)14-9-8-11-25-14/h8-9,11-12,16,23H,3-7,10H2,1-2H3/b17-15+
- Stored Murcko scaffold
- n1cnn2c1N=C[CH]C2c3sccc3
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.
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.961
- 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 · 14732118