Molecule card · MolClass #36605
863523
863523: 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
- 863523Mitochondrial Fusion · compound_name
- MolClass ID
- 36605
- InChIKey
- WCIKATKAUVLGJH-UHFFFAOYSA-N
- Canonical SMILES
- Nc2c4CCCCCc4(nc3C=CN(c1ccccc1)C(=O)c23)
- Standard InChI
- InChI=1S/C19H19N3O/c20-18-14-9-5-2-6-10-15(14)21-16-11-12-22(19(23)17(16)18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,20,21)
- Stored Murcko scaffold
- n1c2C=CN([CH]c2cc3c1CCCCC3)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.77
- 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 · 863523