Molecule card · MolClass #47572
17386385
17386385: 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
- 17386385Mitochondrial Fusion · compound_name
- MolClass ID
- 47572
- InChIKey
- YAPYNCGECVXNED-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCCN2N=C(C)C(C(=O)c1ccccc1)C2(=O)
- Standard InChI
- InChI=1S/C18H24N2O2/c1-3-4-5-6-10-13-20-18(22)16(14(2)19-20)17(21)15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13H2,1-2H3
- Stored Murcko scaffold
- [N]1N=CC([CH]1)[CH]c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.396 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.294
- 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 · 17386385