Molecule card · MolClass #42925
17514290
17514290: 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
- 17514290Mitochondrial Fusion · compound_name
- MolClass ID
- 42925
- InChIKey
- ZFVNSHDEZHEZCC-UHFFFAOYSA-N
- Canonical SMILES
- COCCNC(=O)C(=O)NCC2OCCN2(C(=O)c1ccc(cc1)Cl)
- Standard InChI
- InChI=1S/C16H20ClN3O5/c1-24-8-6-18-14(21)15(22)19-10-13-20(7-9-25-13)16(23)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3,(H,18,21)(H,19,22)
- Stored Murcko scaffold
- O1CN([CH]c2ccccc2)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.801 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.457
- 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 · 17514290