Molecule card · MolClass #48354
14732435
14732435: 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
- 14732435Mitochondrial Fusion · compound_name
- MolClass ID
- 48354
- InChIKey
- MNGCYDLCKBXSBD-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N4C(=NN(c2ccccc2)C4(c3cccs3))C(C)=O
- Standard InChI
- InChI=1S/C21H19N3O2S/c1-15(25)20-22-24(17-7-4-3-5-8-17)21(19-9-6-14-27-19)23(20)16-10-12-18(26-2)13-11-16/h3-14,21H,1-2H3
- Stored Murcko scaffold
- N1=CN(c2ccccc2)C(c3sccc3)N1c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.461 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.849
- 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 · 14732435