Molecule card · MolClass #39364
24807479
24807479: 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
- 24807479Mitochondrial Fusion · compound_name
- MolClass ID
- 39364
- InChIKey
- GRYLWIJORZIPNU-UHFFFAOYSA-N
- Canonical SMILES
- CC=3C=CC4=Nc2nc(NCC1CCCO1)c(cc2C(=O)N4(C=3))C(=O)NC5CCCCC5
- Standard InChI
- InChI=1S/C24H29N5O3/c1-15-9-10-20-27-22-19(24(31)29(20)14-15)12-18(23(30)26-16-6-3-2-4-7-16)21(28-22)25-13-17-8-5-11-32-17/h9-10,12,14,16-17H,2-8,11,13H2,1H3,(H,25,28)(H,26,30)
- Stored Murcko scaffold
- N=1c2nc(NCC3OCCC3)c([CH]NC4CCCCC4)cc2[CH]N5C=CC=CC15
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 435.52 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.298
- 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 · 24807479