Molecule card · MolClass #43558
844969
844969: 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
- 844969Mitochondrial Fusion · compound_name
- MolClass ID
- 43558
- InChIKey
- NNXVDDORYDTIQP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)C(NC(=O)c2ccco2)N3CCOCC3
- Standard InChI
- InChI=1S/C18H20N2O4/c1-13-4-6-14(7-5-13)16(21)17(20-8-11-23-12-9-20)19-18(22)15-3-2-10-24-15/h2-7,10,17H,8-9,11-12H2,1H3,(H,19,22)
- Stored Murcko scaffold
- o1cccc1[CH]NC([CH]c2ccccc2)N3CCOCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.618
- 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 · 844969