Molecule card · MolClass #52337
862442
862442: 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
- 862442Mitochondrial Fusion · compound_name
- MolClass ID
- 52337
- InChIKey
- ZGVZEIKMEWMJRO-UHFFFAOYSA-N
- Canonical SMILES
- CCc2nc1c4ccccc4(oc1c(n2)N3CCC(C)CC3)
- Standard InChI
- InChI=1S/C18H21N3O/c1-3-15-19-16-13-6-4-5-7-14(13)22-17(16)18(20-15)21-10-8-12(2)9-11-21/h4-7,12H,3,8-11H2,1-2H3
- Stored Murcko scaffold
- n1cnc(c2oc3ccccc3c12)N4CCCCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.214
- 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 · 862442