Molecule card · MolClass #44928
848526
848526: 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
- 848526Mitochondrial Fusion · compound_name
- MolClass ID
- 44928
- InChIKey
- HOQFVIAOGSBDFY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN1CCC(CC1)n3nnc2cc(F)ccc23)N5CCCc4ccccc45
- Standard InChI
- InChI=1S/C22H24FN5O/c23-17-7-8-21-19(14-17)24-25-28(21)18-9-12-26(13-10-18)15-22(29)27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,18H,3,5,9-13,15H2
- Stored Murcko scaffold
- n1nn(c2ccccc12)C3CCN(C[CH]N4c5ccccc5CCC4)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.458 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.645
- 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 · 848526