Molecule card · MolClass #48937
24833523
24833523: 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
- 24833523Mitochondrial Fusion · compound_name
- MolClass ID
- 48937
- InChIKey
- LLLZDTQQDCKUED-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)S(=O)(=O)c2ccc(nc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5
- Standard InChI
- InChI=1S/C27H33N5O2S/c1-29-14-20-32(21-15-29)35(33,34)25-12-13-26(28-22-25)30-16-18-31(19-17-30)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,22,27H,14-21H2,1H3
- Stored Murcko scaffold
- n1cc(SN2CCNCC2)ccc1N3CCN(CC3)C(c4ccccc4)c5ccccc5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 491.65 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.486
- 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 · 24833523