Molecule card · MolClass #39939
17504620
17504620: 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
- 17504620Mitochondrial Fusion · compound_name
- MolClass ID
- 39939
- InChIKey
- VYMOXHRGVXEVOZ-FMIVXFBMSA-N
- Canonical SMILES
- O=C3NN(c1ccccc1)C(=O)C3(=Cc2cccs2)
- Standard InChI
- InChI=1S/C14H10N2O2S/c17-13-12(9-11-7-4-8-19-11)14(18)16(15-13)10-5-2-1-3-6-10/h1-9H,(H,15,17)/b12-9+
- Stored Murcko scaffold
- s1cccc1C=C2[CH]NN([CH]2)c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.141
- 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 · 17504620