Molecule card · MolClass #37903
14727973
14727973: 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
- 14727973Mitochondrial Fusion · compound_name
- MolClass ID
- 37903
- InChIKey
- RIBIPVDHRJYQLH-UHFFFAOYSA-N
- Canonical SMILES
- CC2=C(O)C=C(c1cccs1)N(C2(=O))c3ccccc3
- Standard InChI
- InChI=1S/C16H13NO2S/c1-11-14(18)10-13(15-8-5-9-20-15)17(16(11)19)12-6-3-2-4-7-12/h2-10,18H,1H3
- Stored Murcko scaffold
- s1cccc1C2=CC=C[CH]N2c3ccccc3
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.
- 14727966#39500
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
- 68.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.347 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.71
- 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 · 14727973