Molecule card · MolClass #46765
858699
858699: 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
- 858699Mitochondrial Fusion · compound_name
- MolClass ID
- 46765
- InChIKey
- FBVNKWFTDOTTDS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(O)n(nc1C3CC(=O)N(c2ccccc2)C3(=O))c4ccccc4
- Standard InChI
- InChI=1S/C20H17N3O3/c1-13-18(21-23(19(13)25)15-10-6-3-7-11-15)16-12-17(24)22(20(16)26)14-8-4-2-5-9-14/h2-11,16,25H,12H2,1H3
- Stored Murcko scaffold
- n1c(ccn1-c2ccccc2)C3[CH]N([CH]C3)c4ccccc4
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
- 5
- 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
- 75.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.591
- 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 · 858699