Molecule card · MolClass #52002
7972857
7972857: 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
- 7972857Mitochondrial Fusion · compound_name
- MolClass ID
- 52002
- InChIKey
- JPWYQLPVJGLXKM-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)c3nc(nc2ccccc23)c4cccnc4
- Standard InChI
- InChI=1S/C18H19N5/c1-22-9-11-23(12-10-22)18-15-6-2-3-7-16(15)20-17(21-18)14-5-4-8-19-13-14/h2-8,13H,9-12H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)-c2nc3ccccc3c(n2)N4CCNCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.561
- 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 · 7972857