Molecule card · MolClass #37652
3716840
3716840: 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
- 3716840Mitochondrial Fusion · compound_name
- MolClass ID
- 37652
- InChIKey
- KTMZVNFEULYZQH-UHFFFAOYSA-N
- Canonical SMILES
- C3Cc4ncc(c1ccc2OCCOc2(c1))n4(C3)
- Standard InChI
- InChI=1S/C14H14N2O2/c1-2-14-15-9-11(16(14)5-1)10-3-4-12-13(8-10)18-7-6-17-12/h3-4,8-9H,1-2,5-7H2
- Stored Murcko scaffold
- n1cc(-c2ccc3OCCOc3c2)n4c1CCC4
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
- 1
- 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
- 36.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.785
- 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 · 3716840