Molecule card · MolClass #37197
850190
850190: 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
- 850190Mitochondrial Fusion · compound_name
- MolClass ID
- 37197
- InChIKey
- LSQQUPRKNYRRBN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc6c(c1)c2CCCC5c2n6(CCN5(C(=O)CN4C(=O)ON=C4(c3ccccc3)))
- Standard InChI
- InChI=1S/C25H24N4O3/c1-16-10-11-20-19(14-16)18-8-5-9-21-23(18)28(20)13-12-27(21)22(30)15-29-24(26-32-25(29)31)17-6-3-2-4-7-17/h2-4,6-7,10-11,14,21H,5,8-9,12-13,15H2,1H3
- Stored Murcko scaffold
- N=1O[CH]N(C1c2ccccc2)C[CH]N3CCn4c5ccccc5c6c4C3CCC6
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 428.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.685
- 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 · 850190