Molecule card · MolClass #45559
7966577
7966577: 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
- 7966577Mitochondrial Fusion · compound_name
- MolClass ID
- 45559
- InChIKey
- UXMIHCNKGBJULT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cc2CCCCCc2(n1))N3CCc4ccccc4(C3)
- Standard InChI
- InChI=1S/C19H23N3O/c23-19(21-11-10-15-6-4-5-7-16(15)12-21)14-22-13-17-8-2-1-3-9-18(17)20-22/h4-7,13H,1-3,8-12,14H2
- Stored Murcko scaffold
- n1c2c(cn1C[CH]N3Cc4ccccc4CC3)CCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.971
- 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 · 7966577