Molecule card · MolClass #17433
1984976
1984976: 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
- 4249085Mitochondrial Fusion · compound_name
- MolClass ID
- 17433
- InChIKey
- SVIHSYOOHHETDO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(c(C)c1)C2=NCCNC2(=O)
- Standard InChI
- InChI=1S/C12H14N2O/c1-8-3-4-10(9(2)7-8)11-12(15)14-6-5-13-11/h3-4,7H,5-6H2,1-2H3,(H,14,15)
- Stored Murcko scaffold
- N1=C([CH]NCC1)c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 202.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.379
- 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 · 1984976
Mitochondrial Fusion
Dataset #19 · 4249085