Molecule card · MolClass #37626
24837678
24837678: 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
- 24837678Mitochondrial Fusion · compound_name
- MolClass ID
- 37626
- InChIKey
- PJVOAZMVIYLJHI-DEDYPNTBSA-N
- Canonical SMILES
- c1ccn4c(c1)c(C=NN2CCOCC2)nc4(c3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C18H17ClN4O/c19-15-6-4-14(5-7-15)18-21-16(17-3-1-2-8-23(17)18)13-20-22-9-11-24-12-10-22/h1-8,13H,9-12H2/b20-13+
- Stored Murcko scaffold
- N(=Cc1nc(-c2ccccc2)n3ccccc13)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.
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.807 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.571
- 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 · 24837678