Molecule card · MolClass #51463
14741984
14741984: 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
- 14741984Mitochondrial Fusion · compound_name
- MolClass ID
- 51463
- InChIKey
- AOAHDGBJFGWFBD-UHFFFAOYSA-N
- Canonical SMILES
- c4cc(C2C=C(Nc1ncnn12)c3ccc(cc3)Br)sc4
- Standard InChI
- InChI=1S/C15H11BrN4S/c16-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)20-15(19-12)17-9-18-20/h1-9,13H,(H,17,18,19)
- Stored Murcko scaffold
- n1cnn2c1NC(=CC2c3sccc3)c4ccccc4
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.
- 14733522#51618
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.085
- 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 · 14741984