Molecule card · MolClass #47346
7964925
7964925: 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
- 7964925Mitochondrial Fusion · compound_name
- MolClass ID
- 47346
- InChIKey
- REFPNOLYNOYTMP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC2CCCc1ccccc12)C3CCC(CC3)CNC=4C(=O)C(=O)C=4N5CCOCC5
- Standard InChI
- InChI=1S/C26H33N3O4/c30-24-22(23(25(24)31)29-12-14-33-15-13-29)27-16-17-8-10-19(11-9-17)26(32)28-21-7-3-5-18-4-1-2-6-20(18)21/h1-2,4,6,17,19,21,27H,3,5,7-16H2,(H,28,32)
- Stored Murcko scaffold
- O1CCN(C=2[CH][CH]C2NCC3CCC([CH]NC4c5ccccc5CCC4)CC3)CC1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 451.559 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.394
- 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 · 7964925