Molecule card · MolClass #41812
24799602
24799602: 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
- 24799602Mitochondrial Fusion · compound_name
- MolClass ID
- 41812
- InChIKey
- VNDZWWLEVYUVMM-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(Cc1ccsc1))Cc4ccccc4(OC3CCCC3)
- Standard InChI
- InChI=1S/C23H32N2O2S/c26-13-9-21-17-24(11-12-25(21)15-19-10-14-28-18-19)16-20-5-1-4-8-23(20)27-22-6-2-3-7-22/h1,4-5,8,10,14,18,21-22,26H,2-3,6-7,9,11-13,15-17H2
- Stored Murcko scaffold
- O(c1ccccc1CN2CCN(Cc3cscc3)CC2)C4CCCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 400.579 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.378
- 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 · 24799602