Molecule card · MolClass #18085
1726129
1726129: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4260240Mitochondrial Fusion · compound_name
- MolClass ID
- 18085
- InChIKey
- OUBJGKZYHXUUOH-UHFFFAOYSA-N
- Canonical SMILES
- CC(NC1CC(=O)N(C)C(=O)N1(C))c2ccccc2
- Standard InChI
- InChI=1S/C14H17N3O2/c1-10(11-7-5-4-6-8-11)15-12-9-13(18)17(3)14(19)16(12)2/h4-10,15H,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)CNC2=C[CH]N[CH]N2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.603
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1726129
Mitochondrial Fusion
Dataset #19 · 4260240