Molecule card · MolClass #46287
24793327
24793327: 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
- 24793327Mitochondrial Fusion · compound_name
- MolClass ID
- 46287
- InChIKey
- SRTJCOPFMBONLF-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(CC(=O)c3cnc(NC1CC1)nc3(C2))
- Standard InChI
- InChI=1S/C13H17N3O/c1-13(2)5-10-9(11(17)6-13)7-14-12(16-10)15-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,14,15,16)
- Stored Murcko scaffold
- n1cc2[CH]CCCc2nc1NC3CC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.76
- 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 · 24793327