Molecule card · MolClass #48942
24832533
24832533: 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
- 24832533Mitochondrial Fusion · compound_name
- MolClass ID
- 48942
- InChIKey
- JBBSWMJFTCEOLT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c4csc(NC(=O)CSC3=Nc2ccccc2C(=O)N3(CCCN(C)C))n4
- Standard InChI
- InChI=1S/C25H27N5O2S2/c1-17-9-11-18(12-10-17)21-15-33-24(26-21)28-22(31)16-34-25-27-20-8-5-4-7-19(20)23(32)30(25)14-6-13-29(2)3/h4-5,7-12,15H,6,13-14,16H2,1-3H3,(H,26,28,31)
- Stored Murcko scaffold
- n1cc2ccccc2nc1SC[CH]Nc3nc(cs3)-c4ccccc4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 493.647 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.548
- 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 · 24832533