Molecule card · MolClass #48494
17431570
17431570: 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
- 17431570Mitochondrial Fusion · compound_name
- MolClass ID
- 48494
- InChIKey
- RUAFVGLQQYVIHB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)nc(n1)NC(=N)N2CCCCCC2
- Standard InChI
- InChI=1S/C13H21N5/c1-10-9-11(2)16-13(15-10)17-12(14)18-7-5-3-4-6-8-18/h9H,3-8H2,1-2H3,(H2,14,15,16,17)
- Stored Murcko scaffold
- n1cccnc1N[CH]N2CCCCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.816
- 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 · 17431570