Molecule card · MolClass #42972
7966933
7966933: 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
- 7966933Mitochondrial Fusion · compound_name
- MolClass ID
- 42972
- InChIKey
- ITRBFGVNYFNNLI-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCC(CC1)NC(=O)Cn2cc3CCCCCc3(n2)
- Standard InChI
- InChI=1S/C18H28N4O3/c1-2-25-18(24)21-10-8-15(9-11-21)19-17(23)13-22-12-14-6-4-3-5-7-16(14)20-22/h12,15H,2-11,13H2,1H3,(H,19,23)
- Stored Murcko scaffold
- n1c2c(cn1C[CH]NC3CC[N]CC3)CCCCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.052
- 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 · 7966933