Molecule card · MolClass #42470
7969554
7969554: 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
- 7969554Mitochondrial Fusion · compound_name
- MolClass ID
- 42470
- InChIKey
- BVZQKOQADSSOGW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1ccc(F)cc1)C3=CN=C2N(CCS2)C3(=O)
- Standard InChI
- InChI=1S/C14H12FN3O2S/c15-10-3-1-9(2-4-10)7-16-12(19)11-8-17-14-18(13(11)20)5-6-21-14/h1-4,8H,5-7H2,(H,16,19)
- Stored Murcko scaffold
- N=1C=C([CH]NCc2ccccc2)[CH]N3C1SCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.272
- 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 · 7969554