Molecule card · MolClass #52365
860960
860960: 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
- 860960Mitochondrial Fusion · compound_name
- MolClass ID
- 52365
- InChIKey
- OVYGUOGQNYMHFO-UHFFFAOYSA-N
- Canonical SMILES
- CN5C(=O)c4c(nc(N1CCCCCC1)n4(Cc3cccc2ccccc23))N(C)C5(=O)
- Standard InChI
- InChI=1S/C24H27N5O2/c1-26-21-20(22(30)27(2)24(26)31)29(23(25-21)28-14-7-3-4-8-15-28)16-18-12-9-11-17-10-5-6-13-19(17)18/h5-6,9-13H,3-4,7-8,14-16H2,1-2H3
- Stored Murcko scaffold
- n1cnc2nc(n(c2c1)Cc3cccc4ccccc43)N5CCCCCC5
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.504 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.866
- 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 · 860960