Molecule card · MolClass #42386
3712343
3712343: 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
- 3712343Mitochondrial Fusion · compound_name
- MolClass ID
- 42386
- InChIKey
- NJTWEHPQGCLKNV-UHFFFAOYSA-N
- Canonical SMILES
- CN(C1CCCCC1)C2=CC(=O)N3C=CC=CC3(=N2)
- Standard InChI
- InChI=1S/C15H19N3O/c1-17(12-7-3-2-4-8-12)14-11-15(19)18-10-6-5-9-13(18)16-14/h5-6,9-12H,2-4,7-8H2,1H3
- Stored Murcko scaffold
- N=1C(=C[CH]N2C=CC=CC12)NC3CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.105
- 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 · 3712343