Molecule card · MolClass #48564
3715898
3715898: 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
- 3715898Mitochondrial Fusion · compound_name
- MolClass ID
- 48564
- InChIKey
- ITSPQVWXOKXVIC-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)CCCC(C)NC=1CCCCCN=1
- Standard InChI
- InChI=1S/C15H31N3/c1-4-18(5-2)13-9-10-14(3)17-15-11-7-6-8-12-16-15/h14H,4-13H2,1-3H3,(H,16,17)
- Stored Murcko scaffold
- N1=CCCCCC1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.749
- 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 · 3715898