Molecule card · MolClass #35751
24816804
24816804: 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
- 24816804Mitochondrial Fusion · compound_name
- MolClass ID
- 35751
- InChIKey
- RHIKMYNCHKGIPM-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CC=CN3C(=O)c4cc(C(=O)N1COCC1(C)(C))sc4(N=C23)
- Standard InChI
- InChI=1S/C17H17N3O3S/c1-10-5-4-6-19-13(10)18-14-11(15(19)21)7-12(24-14)16(22)20-9-23-8-17(20,2)3/h4-7H,8-9H2,1-3H3
- Stored Murcko scaffold
- N=1c2sc(cc2[CH]N3C=CC=CC13)[CH]N4COCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.879
- 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 · 24816804