Molecule card · MolClass #51616
14732950
14732950: 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
- 14732950Mitochondrial Fusion · compound_name
- MolClass ID
- 51616
- InChIKey
- ZURWZTBINVJXDF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)N2CCN(CC2)C(=O)C3CCCCN3S(=O)(=O)c4ccc(F)cc4
- Standard InChI
- InChI=1S/C24H30FN3O3S/c1-18-6-7-19(2)23(17-18)26-13-15-27(16-14-26)24(29)22-5-3-4-12-28(22)32(30,31)21-10-8-20(25)9-11-21/h6-11,17,22H,3-5,12-16H2,1-2H3
- Stored Murcko scaffold
- S(c1ccccc1)N2CCCCC2[CH]N3CCN(c4ccccc4)CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 459.579 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.146
- 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 · 14732950