Molecule card · MolClass #51376
14745243
14745243: 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
- 14745243Mitochondrial Fusion · compound_name
- MolClass ID
- 51376
- InChIKey
- YCDXNRUAJIQLMQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc(n1)NC(=O)c2cccn2(C)
- Standard InChI
- InChI=1S/C10H11N3OS/c1-7-6-15-10(11-7)12-9(14)8-4-3-5-13(8)2/h3-6H,1-2H3,(H,11,12,14)
- Stored Murcko scaffold
- n1ccsc1N[CH]c2ccc[nH]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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.229
- 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 · 14745243