Molecule card · MolClass #37030
7966775
7966775: 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
- 7966775Mitochondrial Fusion · compound_name
- MolClass ID
- 37030
- InChIKey
- NIEISRIKVNVQBE-UHFFFAOYSA-N
- Canonical SMILES
- CC3CCCCC3(NC(=O)Cn2ncc1ccccc12)
- Standard InChI
- InChI=1S/C16H21N3O/c1-12-6-2-4-8-14(12)18-16(20)11-19-15-9-5-3-7-13(15)10-17-19/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3,(H,18,20)
- Stored Murcko scaffold
- n1cc2ccccc2n1C[CH]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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.358 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.25
- 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 · 7966775