Molecule card · MolClass #37884
852287
852287: 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
- 852287Mitochondrial Fusion · compound_name
- MolClass ID
- 37884
- InChIKey
- FUJUFSLFGFPRFO-UHFFFAOYSA-N
- Canonical SMILES
- CC14(CN3CC(C)(CN(C1)C3(c2ccccc2Cl))C4(O))
- Standard InChI
- InChI=1S/C16H21ClN2O/c1-15-7-18-9-16(2,14(15)20)10-19(8-15)13(18)11-5-3-4-6-12(11)17/h3-6,13-14,20H,7-10H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)C2N3CC4CN2CC(C3)C4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.804 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.44
- 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 · 852287