Molecule card · MolClass #41249
7964725
7964725: 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
- 7964725Mitochondrial Fusion · compound_name
- MolClass ID
- 41249
- InChIKey
- GYOWIBCWJNGXIE-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C)(NC(=O)c1ccc(O)nc1)C(=O)NC2CCCC2
- Standard InChI
- InChI=1S/C16H23N3O3/c1-3-16(2,15(22)18-12-6-4-5-7-12)19-14(21)11-8-9-13(20)17-10-11/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NC[CH]NC2CCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.922
- 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 · 7964725