Molecule card · MolClass #48147
4243515
4243515: 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
- 4243515Mitochondrial Fusion · compound_name
- MolClass ID
- 48147
- InChIKey
- OGGUYDNBKYTTHC-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)c3ccc(CCNC2=CC(=O)N(Cc1ccc(F)cc1)C(=O)N2)cc3
- Standard InChI
- InChI=1S/C19H19FN4O4S/c20-15-5-1-14(2-6-15)12-24-18(25)11-17(23-19(24)26)22-10-9-13-3-7-16(8-4-13)29(21,27)28/h1-8,11,22H,9-10,12H2,(H,23,26)(H2,21,27,28)
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]C=C(N[CH]2)NCCc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.603
- 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 · 4243515