Molecule card · MolClass #39610
24824102
24824102: 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
- 24824102Mitochondrial Fusion · compound_name
- MolClass ID
- 39610
- InChIKey
- RGMVFYIAYDVJCK-UHFFFAOYSA-N
- Canonical SMILES
- Cn2cnc1c(ncnc12)NCc3ccco3
- Standard InChI
- InChI=1S/C11H11N5O/c1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8/h2-4,6-7H,5H2,1H3,(H,12,13,14)
- Stored Murcko scaffold
- n1cnc(NCc2occc2)c3nc[nH]c13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.837
- 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 · 24824102