Molecule card · MolClass #41274
4262859
4262859: 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
- 4262859Mitochondrial Fusion · compound_name
- MolClass ID
- 41274
- InChIKey
- BXCIERVECHLQHY-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)CC2(CCCC2)n4c(nnc34)c5ccco5
- Standard InChI
- InChI=1S/C18H17N3O/c1-2-7-14-13(6-1)12-18(9-3-4-10-18)21-16(14)19-20-17(21)15-8-5-11-22-15/h1-2,5-8,11H,3-4,9-10,12H2
- Stored Murcko scaffold
- n1nc2-c3ccccc3CC4(n2c1-c5occc5)CCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.646
- 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 · 4262859