Molecule card · MolClass #47800
7977308
7977308: 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
- 7977308Mitochondrial Fusion · compound_name
- MolClass ID
- 47800
- InChIKey
- XHCNINMOALIGKM-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1
- Standard InChI
- InChI=1S/C16H36N4/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13/h13-14,17-20H,7-12H2,1-6H3
- Stored Murcko scaffold
- N1CCNCCCNCCNCCC1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.846
- 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 · 7977308