Molecule card · MolClass #42256
7966310
7966310: 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
- 7966310Mitochondrial Fusion · compound_name
- MolClass ID
- 42256
- InChIKey
- AXPCKDXGCYZZEV-UHFFFAOYSA-N
- Canonical SMILES
- CCOCCCNC(=O)Cn1cc2CCCCc2(n1)
- Standard InChI
- InChI=1S/C14H23N3O2/c1-2-19-9-5-8-15-14(18)11-17-10-12-6-3-4-7-13(12)16-17/h10H,2-9,11H2,1H3,(H,15,18)
- Stored Murcko scaffold
- n1[nH]cc2c1CCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.295
- 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 · 7966310