Molecule card · MolClass #44936
7969319
7969319: 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
- 7969319Mitochondrial Fusion · compound_name
- MolClass ID
- 44936
- InChIKey
- YMWPBMTWBIJAFX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCN(CC1)C=3C(=O)C(=O)C=3(NCCCN(C)C2CCCCC2)
- Standard InChI
- InChI=1S/C22H35N3O4/c1-3-29-22(28)16-10-14-25(15-11-16)19-18(20(26)21(19)27)23-12-7-13-24(2)17-8-5-4-6-9-17/h16-17,23H,3-15H2,1-2H3
- Stored Murcko scaffold
- [CH]1[CH]C(=C1NCCCNC2CCCCC2)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
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.532 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.253
- 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 · 7969319