Molecule card · MolClass #37087
860792
860792: 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
- 860792Mitochondrial Fusion · compound_name
- MolClass ID
- 37087
- InChIKey
- PWXQNRDNCFSJAE-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)NC(c2ccncc2)n4c5ccccc5(nc34)
- Standard InChI
- InChI=1S/C19H14N4/c1-2-6-15-14(5-1)19-22-16-7-3-4-8-17(16)23(19)18(21-15)13-9-11-20-12-10-13/h1-12,18,21H
- Stored Murcko scaffold
- n1ccc(cc1)C2Nc3ccccc3-c4nc5ccccc5n42
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.234
- 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 · 860792