Molecule card · MolClass #36828
3715475
3715475: 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
- 3715475Mitochondrial Fusion · compound_name
- MolClass ID
- 36828
- InChIKey
- YNLNFSBVRYXRBG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COn2nnc1ccccc12)NCC3CCCCC3
- Standard InChI
- InChI=1S/C15H20N4O2/c20-15(16-10-12-6-2-1-3-7-12)11-21-19-14-9-5-4-8-13(14)17-18-19/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,20)
- Stored Murcko scaffold
- n1nn(OC[CH]NCC2CCCCC2)c3ccccc13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.726
- 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 · 3715475