Molecule card · MolClass #40371
24799987
24799987: 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
- 24799987Mitochondrial Fusion · compound_name
- MolClass ID
- 40371
- InChIKey
- RPSOYZFVEBMXDL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2(CCCC2)c5noc(CN3CCC(CC3)c4ccncc4)n5
- Standard InChI
- InChI=1S/C25H30N4O/c1-19-4-6-22(7-5-19)25(12-2-3-13-25)24-27-23(30-28-24)18-29-16-10-21(11-17-29)20-8-14-26-15-9-20/h4-9,14-15,21H,2-3,10-13,16-18H2,1H3
- Stored Murcko scaffold
- n1ccc(cc1)C2CCN(Cc3nc(no3)C4(c5ccccc5)CCCC4)CC2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.533 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.878
- 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 · 24799987