Molecule card · MolClass #15052
1625308
1625308: 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
- 22412719Mitochondrial Fusion · compound_name
- MolClass ID
- 15052
- InChIKey
- ILSAONGGBDPOMC-UHFFFAOYSA-N
- Canonical SMILES
- NN2CNC3c4ccccc4(CC1(CCCCC1)C3(C2(=O)))
- Standard InChI
- InChI=1S/C17H19N3O/c18-20-11-19-15-13-7-3-2-6-12(13)10-17(14(15)16(20)21)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10,18H2
- Stored Murcko scaffold
- N1=CN[CH]C2=C1c3ccccc3CC24CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.283
- 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 · 1625308
Mitochondrial Fusion
Dataset #19 · 22412719