Molecule card · MolClass #39672
7966545
7966545: 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
- 7966545Mitochondrial Fusion · compound_name
- MolClass ID
- 39672
- InChIKey
- SFFAODNYGRHAMP-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCC(CC1)NC(=O)Cn4ncc3COc2ccc(C)cc2c34
- Standard InChI
- InChI=1S/C21H26N4O4/c1-3-28-21(27)24-8-6-16(7-9-24)23-19(26)12-25-20-15(11-22-25)13-29-18-5-4-14(2)10-17(18)20/h4-5,10-11,16H,3,6-9,12-13H2,1-2H3,(H,23,26)
- Stored Murcko scaffold
- n1cc2c(-c3ccccc3OC2)n1C[CH]NC4CC[N]CC4
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
- 85.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.456 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.618
- 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 · 7966545