Molecule card · MolClass #47104
24823083
24823083: 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
- 24823083Mitochondrial Fusion · compound_name
- MolClass ID
- 47104
- InChIKey
- RAMFRMLIIXXEFR-OMCISZLKSA-N
- Canonical SMILES
- CCOC(=O)c3c1CCCc1sc3(N=CC2C(=O)NC(=O)NC2(=O))
- Standard InChI
- InChI=1S/C15H15N3O5S/c1-2-23-14(21)10-7-4-3-5-9(7)24-13(10)16-6-8-11(19)17-15(22)18-12(8)20/h6,8H,2-5H2,1H3,(H2,17,18,19,20,22)/b16-6+
- Stored Murcko scaffold
- N(=CC1[CH]N[CH]N[CH]1)c2sc3c(c2)CCC3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 142.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.669
- 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 · 24823083