Molecule card · MolClass #35697
24830415
24830415: 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
- 24830415Mitochondrial Fusion · compound_name
- MolClass ID
- 35697
- InChIKey
- BQGWZUJISIWKHU-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(=CC(C1)=[N+]2CCCCC2)N3CCCC3)
- Standard InChI
- InChI=1S/C17H29N2/c1-17(2)13-15(18-8-4-3-5-9-18)12-16(14-17)19-10-6-7-11-19/h12H,3-11,13-14H2,1-2H3/q+1
- Stored Murcko scaffold
- C1=C(N2CCCC2)CCCC1=[N+]3CCCCC3
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
- 1
- 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
- 6.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.562
- 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 · 24830415