Molecule card · MolClass #44191
24819751
24819751: 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
- 24819751Mitochondrial Fusion · compound_name
- MolClass ID
- 44191
- InChIKey
- YRWAEOIWGLGBMI-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCc1c(C)nc(nc1(O))n2nc(C)c(CCO)c2(O)
- Standard InChI
- InChI=1S/C17H26N4O3/c1-4-5-6-7-8-13-11(2)18-17(19-15(13)23)21-16(24)14(9-10-22)12(3)20-21/h22,24H,4-10H2,1-3H3,(H,18,19,23)
- Stored Murcko scaffold
- n1cccnc1-n2nccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.77
- 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 · 24819751