Molecule card · MolClass #43883
7966639
7966639: 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
- 7966639Mitochondrial Fusion · compound_name
- MolClass ID
- 43883
- InChIKey
- KZEIPYRWOLXGQH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N(CC(=O)O)C3C(=O)N(c2cccc(C)c2)C(=O)S3
- Standard InChI
- InChI=1S/C19H18N2O4S/c1-12-5-3-7-14(9-12)20(11-16(22)23)18-17(24)21(19(25)26-18)15-8-4-6-13(2)10-15/h3-10,18H,11H2,1-2H3,(H,22,23)
- Stored Murcko scaffold
- S1[CH]N([CH]C1Nc2ccccc2)c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.057
- 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 · 7966639