Molecule card · MolClass #35758
24816424
24816424: 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
- 24816424Mitochondrial Fusion · compound_name
- MolClass ID
- 35758
- InChIKey
- PJOGFKIJZSYBRG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)[N+]=4CC(O)(c2cccs2)N3CCCCC3=4
- Standard InChI
- InChI=1S/C19H23N2OS/c1-14-8-9-15(2)16(12-14)20-13-19(22,17-6-5-11-23-17)21-10-4-3-7-18(20)21/h5-6,8-9,11-12,22H,3-4,7,10,13H2,1-2H3/q+1
- Stored Murcko scaffold
- s1cccc1C2N3C(=[N+](c4ccccc4)C2)CCCC3
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.466 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.05
- 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 · 24816424