Molecule card · MolClass #40822
7969574
7969574: 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
- 7969574Mitochondrial Fusion · compound_name
- MolClass ID
- 40822
- InChIKey
- YDCYPMALBPZRMW-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc1ccccc1n3(CCNC(=O)C2CC2)
- Standard InChI
- InChI=1S/C15H18N2O/c1-11-10-13-4-2-3-5-14(13)17(11)9-8-16-15(18)12-6-7-12/h2-5,10,12H,6-9H2,1H3,(H,16,18)
- Stored Murcko scaffold
- c1ccc2c(c1)ccn2CCN[CH]C3CC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.421
- 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 · 7969574