Molecule card · MolClass #49300
24812448
24812448: 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
- 24812448Mitochondrial Fusion · compound_name
- MolClass ID
- 49300
- InChIKey
- JXKDVNSQSNFYGD-RCCKNPSSSA-N
- Canonical SMILES
- c1ccc(cc1)CN(N=Cc2cccnc2)c3ccccc3
- Standard InChI
- InChI=1S/C19H17N3/c1-3-8-17(9-4-1)16-22(19-11-5-2-6-12-19)21-15-18-10-7-13-20-14-18/h1-15H,16H2/b21-15+
- Stored Murcko scaffold
- n1cccc(c1)C=NN(c2ccccc2)Cc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 28.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.204
- 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 · 24812448