Molecule card · MolClass #46131
849236
849236: 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
- 849236Mitochondrial Fusion · compound_name
- MolClass ID
- 46131
- InChIKey
- BUCSZWZOUSTLKE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2cc(c(O)nc2(cc1(C)))C(c4nnnn4(Cc3ccco3))N6CCc5ccccc56
- Standard InChI
- InChI=1S/C26H24N6O2/c1-16-12-19-14-21(26(33)27-22(19)13-17(16)2)24(31-10-9-18-6-3-4-8-23(18)31)25-28-29-30-32(25)15-20-7-5-11-34-20/h3-8,11-14,24H,9-10,15H2,1-2H3,(H,27,33)
- Stored Murcko scaffold
- n1nc(n(n1)Cc2occc2)C(c3cnc4ccccc4c3)N5c6ccccc6CC5
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 452.509 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.386
- 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 · 849236