Molecule card · MolClass #51481
14741042
14741042: 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
- 14741042Mitochondrial Fusion · compound_name
- MolClass ID
- 51481
- InChIKey
- RMRIJGKQEZWFCV-UHFFFAOYSA-N
- Canonical SMILES
- CCCOc1ccc(cc1)c2nc(C#N)c(o2)N3CCC(CC3)C(N)=O
- Standard InChI
- InChI=1S/C19H22N4O3/c1-2-11-25-15-5-3-14(4-6-15)18-22-16(12-20)19(26-18)23-9-7-13(8-10-23)17(21)24/h3-6,13H,2,7-11H2,1H3,(H2,21,24)
- Stored Murcko scaffold
- n1cc(oc1-c2ccccc2)N3CCCCC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 105.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.557
- 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 · 14741042