Molecule card · MolClass #51260
17387394
17387394: 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
- 17387394Mitochondrial Fusion · compound_name
- MolClass ID
- 51260
- InChIKey
- UWVBEALNNHEDTM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCc1ccccc1)NNC(NC(=O)c2ccc(cc2)Cl)=S
- Standard InChI
- InChI=1S/C17H16ClN3O2S/c18-14-9-7-13(8-10-14)16(23)19-17(24)21-20-15(22)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,20,22)(H2,19,21,23,24)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N[CH]NN[CH]CCc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.848 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.754
- 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 · 17387394