Molecule card · MolClass #39262
24813321
24813321: 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
- 24813321Mitochondrial Fusion · compound_name
- MolClass ID
- 39262
- InChIKey
- OOPWYUZEJZPXBL-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4ccccc4(NC1(CCCC1)N3(NS(=O)(=O)c2ccccc2))
- Standard InChI
- InChI=1S/C18H19N3O3S/c22-17-15-10-4-5-11-16(15)19-18(12-6-7-13-18)21(17)20-25(23,24)14-8-2-1-3-9-14/h1-5,8-11,19-20H,6-7,12-13H2
- Stored Murcko scaffold
- S(NN1[CH]c2ccccc2NC13CCCC3)c4ccccc4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.999
- 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 · 24813321