Molecule card · MolClass #36749
4250748
4250748: 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
- 4250748Mitochondrial Fusion · compound_name
- MolClass ID
- 36749
- InChIKey
- DXCOCPOTYURGHS-NTUHNPAUSA-N
- Canonical SMILES
- Cc1cc2CC(C)(C)NC(=CC(N)=O)c2(cc1(C))
- Standard InChI
- InChI=1S/C15H20N2O/c1-9-5-11-8-15(3,4)17-13(7-14(16)18)12(11)6-10(9)2/h5-7,17H,8H2,1-4H3,(H2,16,18)/b13-7+
- Stored Murcko scaffold
- c1ccc2c(c1)[CH]NCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.178
- 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 · 4250748