Molecule card · MolClass #40385
4246312
4246312: 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
- 4246312Mitochondrial Fusion · compound_name
- MolClass ID
- 40385
- InChIKey
- JTVOKCXXTYTGSK-UHFFFAOYSA-N
- Canonical SMILES
- CC3=C(NS(=O)(=O)N1CCCC1)C(=O)N(c2ccccc2)N3(C)
- Standard InChI
- InChI=1S/C15H20N4O3S/c1-12-14(16-23(21,22)18-10-6-7-11-18)15(20)19(17(12)2)13-8-4-3-5-9-13/h3-5,8-9,16H,6-7,10-11H2,1-2H3
- Stored Murcko scaffold
- S(NC1=CNN([CH]1)c2ccccc2)N3CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.388
- 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 · 4246312