Molecule card · MolClass #38863
24811422
24811422: 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
- 24811422Mitochondrial Fusion · compound_name
- MolClass ID
- 38863
- InChIKey
- UNMCBCZIHXWFEM-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=N)N2C(C)CCc1ccccc12
- Standard InChI
- InChI=1S/C15H23N3/c1-4-17(5-2)15(16)18-12(3)10-11-13-8-6-7-9-14(13)18/h6-9,12,16H,4-5,10-11H2,1-3H3
- Stored Murcko scaffold
- c1ccc2c(c1)NCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.602
- 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 · 24811422