Molecule card · MolClass #51853
14725785
14725785: 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
- 14725785Mitochondrial Fusion · compound_name
- MolClass ID
- 51853
- InChIKey
- DCSXOEAYTDGVPO-UHFFFAOYSA-N
- Canonical SMILES
- CCOc2nc(NC1CCCCC1)nc(n2)NC(C)(C)C
- Standard InChI
- InChI=1S/C15H27N5O/c1-5-21-14-18-12(16-11-9-7-6-8-10-11)17-13(19-14)20-15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,18,19,20)
- Stored Murcko scaffold
- n1cnc(nc1)NC2CCCCC2
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.
- 47198253#33593
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.841
- 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 · 14725785