Molecule card · MolClass #37629
24807872
24807872: 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
- 24807872Mitochondrial Fusion · compound_name
- MolClass ID
- 37629
- InChIKey
- MXNDLBXVKZKIKI-UHFFFAOYSA-N
- Canonical SMILES
- Nc2c1cc4CCCc4(nc1sc2C(=O)C3CC3)
- Standard InChI
- InChI=1S/C14H14N2OS/c15-11-9-6-8-2-1-3-10(8)16-14(9)18-13(11)12(17)7-4-5-7/h6-7H,1-5,15H2
- Stored Murcko scaffold
- n1c2sc(cc2cc3c1CCC3)[CH]C4CC4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.628
- 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 · 24807872