Molecule card · MolClass #38635
17403081
17403081: 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
- 17403081Mitochondrial Fusion · compound_name
- MolClass ID
- 38635
- InChIKey
- SWMVEKOZWMIKFL-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2cnn3c1ccccc1c(nc23)N4CCOCC4
- Standard InChI
- InChI=1S/C15H13N5O/c16-9-11-10-17-20-13-4-2-1-3-12(13)15(18-14(11)20)19-5-7-21-8-6-19/h1-4,10H,5-8H2
- Stored Murcko scaffold
- n1ccc2nc(c3ccccc3n12)N4CCOCC4
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.
- 22409805#33203
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.192
- 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 · 17403081