Molecule card · MolClass #41961
14725293
14725293: 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
- 14725293Mitochondrial Fusion · compound_name
- MolClass ID
- 41961
- InChIKey
- KFQREURXCYHWIC-UHFFFAOYSA-N
- Canonical SMILES
- c1nnnn1C34(CC2CC(CC(C2)C3)C4)
- Standard InChI
- InChI=1S/C11H16N4/c1-8-2-10-3-9(1)5-11(4-8,6-10)15-7-12-13-14-15/h7-10H,1-6H2
- Stored Murcko scaffold
- n1ncn(n1)C23CC4CC(CC(C4)C2)C3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 204.272 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.088
- 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 · 14725293