Molecule card · MolClass #37038
24811781
24811781: 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
- 24811781Mitochondrial Fusion · compound_name
- MolClass ID
- 37038
- InChIKey
- DMYFHZGTTJRJOR-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=C(NNC(=O)C1CCCCC1)N(C)C2(=O)
- Standard InChI
- InChI=1S/C13H20N4O3/c1-16-10(8-11(18)17(2)13(16)20)14-15-12(19)9-6-4-3-5-7-9/h8-9,14H,3-7H2,1-2H3,(H,15,19)
- Stored Murcko scaffold
- n1cnc(cc1)NN[CH]C2CCCCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.444
- 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 · 24811781