Molecule card · MolClass #51005
17412979
17412979: 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
- 17412979Mitochondrial Fusion · compound_name
- MolClass ID
- 51005
- InChIKey
- GLRXNKPAJFSXBL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NC(NCC(=O)c2ccccc2)=S
- Standard InChI
- InChI=1S/C17H16N2O2S/c1-12-7-9-14(10-8-12)16(21)19-17(22)18-11-15(20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,21,22)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N[CH]NC[CH]c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.248
- 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 · 17412979