Molecule card · MolClass #51148
17407833
17407833: 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
- 17407833Mitochondrial Fusion · compound_name
- MolClass ID
- 51148
- InChIKey
- GFBUKFKZHZJOQX-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1N4C=Nc3c(cc(c2ccccc2)s3)C4(=O)
- Standard InChI
- InChI=1S/C19H14N2O2S/c1-23-16-10-6-5-9-15(16)21-12-20-18-14(19(21)22)11-17(24-18)13-7-3-2-4-8-13/h2-12H,1H3
- Stored Murcko scaffold
- N1=CN([CH]c2cc(sc12)-c3ccccc3)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.393 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.545
- 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 · 17407833