Molecule card · MolClass #51855
14726517
14726517: 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
- 14726517Mitochondrial Fusion · compound_name
- MolClass ID
- 51855
- InChIKey
- RSKDNGOGPUOHMI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(C(N)=O)c(n1)Nc3cccc2ccccc23
- Standard InChI
- InChI=1S/C18H17N3O/c1-11-10-12(2)20-18(16(11)17(19)22)21-15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3,(H2,19,22)(H,20,21)
- Stored Murcko scaffold
- n1ccccc1Nc2cccc3ccccc32
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.044
- 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 · 14726517