Molecule card · MolClass #44309
14740654
14740654: 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
- 14740654Mitochondrial Fusion · compound_name
- MolClass ID
- 44309
- InChIKey
- HQHMOQVDKGUCTF-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCC(CC1)=NNC(=O)C(=O)NC(C)(C)C
- Standard InChI
- InChI=1S/C12H22N4O2/c1-12(2,3)13-10(17)11(18)15-14-9-5-7-16(4)8-6-9/h5-8H2,1-4H3,(H,13,17)(H,15,18)
- Stored Murcko scaffold
- [CH]1CCNCC1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.529
- 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 · 14740654