Molecule card · MolClass #40845
7971114
7971114: 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
- 7971114Mitochondrial Fusion · compound_name
- MolClass ID
- 40845
- InChIKey
- CSRZEZJZWYVBFK-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN1C(=O)C=C(NC1(=O))N2CCOCC2
- Standard InChI
- InChI=1S/C12H19N3O3/c1-2-3-4-15-11(16)9-10(13-12(15)17)14-5-7-18-8-6-14/h9H,2-8H2,1H3,(H,13,17)
- Stored Murcko scaffold
- [N]1[CH]C=C(N[CH]1)N2CCOCC2
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
- 6
- 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
- 61.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.038
- 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 · 7971114