Molecule card · MolClass #51669
14732359
14732359: 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
- 14732359Mitochondrial Fusion · compound_name
- MolClass ID
- 51669
- InChIKey
- JUASSRBRIRLQLJ-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(Nc1nc(nc(n1)N2CCCC2)NC(C)(C)C)c(c3)OC
- Standard InChI
- InChI=1S/C19H28N6O2/c1-19(2,3)24-17-21-16(22-18(23-17)25-10-6-7-11-25)20-14-9-8-13(26-4)12-15(14)27-5/h8-9,12H,6-7,10-11H2,1-5H3,(H2,20,21,22,23,24)
- Stored Murcko scaffold
- n1cnc(nc1Nc2ccccc2)N3CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.465 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.906
- 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 · 14732359