Molecule card · MolClass #37994
24826587
24826587: 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
- 24826587Mitochondrial Fusion · compound_name
- MolClass ID
- 37994
- InChIKey
- SXRPCRZFBUCPSR-KZZDLZNXSA-N
- Canonical SMILES
- CN2CCCC2(=CC=C1C(=O)N(C)C(N1(C))=S)
- Standard InChI
- InChI=1S/C12H17N3OS/c1-13-8-4-5-9(13)6-7-10-11(16)15(3)12(17)14(10)2/h6-7H,4-5,8H2,1-3H3/b9-6+,10-7+
- Stored Murcko scaffold
- [N]1[CH][N]C([CH]1)=CC=C2NCCC2
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.
- 24808246#37935
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.603
- 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 · 24826587