Molecule card · MolClass #51951
7975145
7975145: 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
- 7975145Mitochondrial Fusion · compound_name
- MolClass ID
- 51951
- InChIKey
- BFJQGJJCCRAGDN-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)c1ccc(cc1)NC=C4C(=O)N(C2CCCCC2)C(=O)N(C3CCCCC3)C4(=O)
- Standard InChI
- InChI=1S/C23H30N4O5S/c24-33(31,32)19-13-11-16(12-14-19)25-15-20-21(28)26(17-7-3-1-4-8-17)23(30)27(22(20)29)18-9-5-2-6-10-18/h11-15,17-18,25H,1-10H2,(H2,24,31,32)
- Stored Murcko scaffold
- c1ccc(cc1)NC=C2[CH]N([CH]N([CH]2)C3CCCCC3)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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 138.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 474.575 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.675
- 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 · 7975145