Molecule card · MolClass #38817
24800744
24800744: 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
- 24800744Mitochondrial Fusion · compound_name
- MolClass ID
- 38817
- InChIKey
- LYHXVMHREVSOLG-CVJWPJSTSA-N
- Canonical SMILES
- O=C5N(Cc1cccnc1)CC4CC(c2cccc(c2)OC3CCCC3)N6CCCC456
- Standard InChI
- InChI=1S/C26H31N3O2/c30-25-26-11-5-13-29(26)24(15-21(26)18-28(25)17-19-6-4-12-27-16-19)20-7-3-10-23(14-20)31-22-8-1-2-9-22/h3-4,6-7,10,12,14,16,21-22,24H,1-2,5,8-9,11,13,15,17-18H2/t21-,24-,26-/m0/s1
- Stored Murcko scaffold
- n1cccc(c1)CN2[CH]C34N(CCC3)C(c5cccc(OC6CCCC6)c5)CC4C2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.544 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.288
- 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 · 24800744