Molecule card · MolClass #51287
17387915
17387915: 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
- 17387915Mitochondrial Fusion · compound_name
- MolClass ID
- 51287
- InChIKey
- LWMUYQDLZDEWKY-BSYVCWPDSA-N
- Canonical SMILES
- CCOc1ccc(cc1)C(=O)NN=C(c2ccccc2)c3ccccn3
- Standard InChI
- InChI=1S/C21H19N3O2/c1-2-26-18-13-11-17(12-14-18)21(25)24-23-20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15H,2H2,1H3,(H,24,25)/b23-20+
- Stored Murcko scaffold
- n1ccccc1C(=NN[CH]c2ccccc2)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.
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.027
- 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 · 17387915