Molecule card · MolClass #41341
850255
850255: 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
- 850255Mitochondrial Fusion · compound_name
- MolClass ID
- 41341
- InChIKey
- FFNSTTWKONVLRN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(O)CN4c2ccccc2N3CCN=C34
- Standard InChI
- InChI=1S/C18H19N3O/c1-13-6-8-14(9-7-13)17(22)12-21-16-5-3-2-4-15(16)20-11-10-19-18(20)21/h2-9,17,22H,10-12H2,1H3
- Stored Murcko scaffold
- N1=C2N(c3ccccc3N2CCc4ccccc4)CC1
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.
- 850714#40106
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.889
- 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 · 850255