Molecule card · MolClass #37785
7967216
7967216: 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
- 7967216Mitochondrial Fusion · compound_name
- MolClass ID
- 37785
- InChIKey
- CUXXHYISCUDUEV-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCCN(C1)C=3C(=O)C(=O)C=3(NCC2CCCN2(CC))
- Standard InChI
- InChI=1S/C19H29N3O4/c1-3-21-9-6-8-14(21)11-20-15-16(18(24)17(15)23)22-10-5-7-13(12-22)19(25)26-4-2/h13-14,20H,3-12H2,1-2H3
- Stored Murcko scaffold
- [CH]1[CH]C(=C1NCC2NCCC2)N3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.033
- 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 · 7967216