Molecule card · MolClass #48361
24808894
24808894: 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
- 24808894Mitochondrial Fusion · compound_name
- MolClass ID
- 48361
- InChIKey
- FCOZHGITJVEHTM-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c3cccc2CCCCc23
- Standard InChI
- InChI=1S/C20H26N4O2S/c1-4-20(2,3)21-18(25)12-24(19(26)16-13-27-23-22-16)17-11-7-9-14-8-5-6-10-15(14)17/h7,9,11,13H,4-6,8,10,12H2,1-3H3,(H,21,25)
- Stored Murcko scaffold
- n1nc([CH][N]c2cccc3c2CCCC3)cs1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.513 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.929
- 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 · 24808894