Molecule card · MolClass #49475
24798623
24798623: 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
- 24798623Mitochondrial Fusion · compound_name
- MolClass ID
- 49475
- InChIKey
- NWYWRJMNFOBIMX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)n3cc(CNC(C)Cc2cnccn2)c(n3)c4cccc(C)c4
- Standard InChI
- InChI=1S/C25H27N5/c1-18-7-9-24(10-8-18)30-17-22(25(29-30)21-6-4-5-19(2)13-21)15-28-20(3)14-23-16-26-11-12-27-23/h4-13,16-17,20,28H,14-15H2,1-3H3
- Stored Murcko scaffold
- n1ccnc(c1)CCNCc2cn(nc2-c3ccccc3)-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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 397.516 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.275
- 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 · 24798623