Molecule card · MolClass #36651
14729378
14729378: 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
- 14729378Mitochondrial Fusion · compound_name
- MolClass ID
- 36651
- InChIKey
- SCKOURIILZUGMP-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(NC(=O)N(C)C)N(C)C(=O)N1
- Standard InChI
- InChI=1S/C9H18N4O2/c1-6-5-7(11-8(14)12(2)3)13(4)9(15)10-6/h6-7H,5H2,1-4H3,(H,10,15)(H,11,14)
- Stored Murcko scaffold
- [N]1[CH]NCCC1
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.
- 62641-66-1#7121
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 214.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.444
- 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 · 14729378