Molecule card · MolClass #51533
14739041
14739041: 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
- 14739041Mitochondrial Fusion · compound_name
- MolClass ID
- 51533
- InChIKey
- NVXZEOZGOJOULQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc2ccccc2(c1))Nc3ccc4c(c3)nns4
- Standard InChI
- InChI=1S/C17H12N4OS/c22-17(19-14-7-8-16-15(10-14)20-21-23-16)18-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H2,18,19,22)
- Stored Murcko scaffold
- n1nc2cc(ccc2s1)N[CH]Nc3ccc4ccccc4c3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.474
- 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 · 14739041