Molecule card · MolClass #46230
24818453
24818453: 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
- 24818453Mitochondrial Fusion · compound_name
- MolClass ID
- 46230
- InChIKey
- CZHFZTNMDDBJRB-NTMALXAHSA-N
- Canonical SMILES
- CN(C)C=C2NC(N(c1ccccc1)C2(=O))=S
- Standard InChI
- InChI=1S/C12H13N3OS/c1-14(2)8-10-11(16)15(12(17)13-10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,17)/b10-8-
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH][CH]N[CH]2
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
- 4
- 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
- 67.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.688
- 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 · 24818453