Molecule card · MolClass #39523
24818691
24818691: 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
- 24818691Mitochondrial Fusion · compound_name
- MolClass ID
- 39523
- InChIKey
- CAAHGHOSXOZKQY-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nnc(c1cnn(C)c1(N))n3(CCCN2CCOCC2)
- Standard InChI
- InChI=1S/C14H23N7O/c1-11-17-18-14(12-10-16-19(2)13(12)15)21(11)5-3-4-20-6-8-22-9-7-20/h10H,3-9,15H2,1-2H3
- Stored Murcko scaffold
- n1nc(-c2cn[nH]c2)n(c1)CCCN3CCOCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.521
- 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 · 24818691