Molecule card · MolClass #37522
14718704
14718704: 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
- 14718704Mitochondrial Fusion · compound_name
- MolClass ID
- 37522
- InChIKey
- RIUNOCMITYEJOJ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2Oc3ncnc(c3(N=Cc2(c1)))N4CCOCC4
- Standard InChI
- InChI=1S/C15H14N4O2/c1-2-4-12-11(3-1)9-16-13-14(17-10-18-15(13)21-12)19-5-7-20-8-6-19/h1-4,9-10H,5-8H2
- Stored Murcko scaffold
- n1cnc(c2N=Cc3ccccc3Oc12)N4CCOCC4
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.
- 856890#38183
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 59.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.927
- 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 · 14718704