Molecule card · MolClass #38271
4265125
4265125: 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
- 4265125Mitochondrial Fusion · compound_name
- MolClass ID
- 38271
- InChIKey
- FBXJWKUKZNYWEE-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2c(N)c(C(=O)c1ccccc1)n3CCCc23
- Standard InChI
- InChI=1S/C15H13N3O/c16-9-11-12-7-4-8-18(12)14(13(11)17)15(19)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8,17H2
- Stored Murcko scaffold
- c1ccc(cc1)[CH]c2ccc3n2CCC3
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.
- LOPAC 00994#613
- Ketorolac#9225
- 856369#39327
- NC(CO)(CO)CO.OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1#153976
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 71.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.482
- 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 · 4265125