Molecule card · MolClass #40738
24825624
24825624: 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
- 24825624Mitochondrial Fusion · compound_name
- MolClass ID
- 40738
- InChIKey
- FBSWZIFPUZQPFW-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccccc4(NC(=C(C(=O)c2cc(C)n(Cc1ccccc1Cl)c2(C))[n+]3ccccc3)[S-])
- Standard InChI
- InChI=1S/C28H26ClN3OS/c1-19-11-5-8-14-25(19)30-28(34)26(31-15-9-4-10-16-31)27(33)23-17-20(2)32(21(23)3)18-22-12-6-7-13-24(22)29/h4-17H,18H2,1-3H3,(H-,30,33,34)
- Stored Murcko scaffold
- c1ccc(cc1)NC=C([CH]c2ccn(c2)Cc3ccccc3)[n+]4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 488.046 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.752
- 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 · 24825624