Molecule card · MolClass #45330
24707958
24707958: 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
- 24707958Mitochondrial Fusion · compound_name
- MolClass ID
- 45330
- InChIKey
- QSFHCJDOSHODAQ-KDOFPFPSSA-N
- Canonical SMILES
- COCCNC(=O)C1(C=CC(C)N1(C(C)=O))(Cc2ccccc2)
- Standard InChI
- InChI=1S/C18H24N2O3/c1-14-9-10-18(20(14)15(2)21,17(22)19-11-12-23-3)13-16-7-5-4-6-8-16/h4-10,14H,11-13H2,1-3H3,(H,19,22)/t14-,18+/m1/s1
- Stored Murcko scaffold
- [N]1CC=CC1Cc2ccccc2
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.
- 46500545#30841
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.574
- 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 · 24707958