Molecule card · MolClass #44523
7977317
7977317: 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
- 7977317Mitochondrial Fusion · compound_name
- MolClass ID
- 44523
- InChIKey
- HIXMLAOMOWYBAW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC(C(=O)c1ccccc1)N2CCCCC2)c3ccccc3
- Standard InChI
- InChI=1S/C20H22N2O2/c23-18(16-10-4-1-5-11-16)19(22-14-8-3-9-15-22)21-20(24)17-12-6-2-7-13-17/h1-2,4-7,10-13,19H,3,8-9,14-15H2,(H,21,24)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC([CH]c2ccccc2)N3CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.745
- 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 · 7977317