Molecule card · MolClass #36879
14737478
14737478: 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
- 14737478Mitochondrial Fusion · compound_name
- MolClass ID
- 36879
- InChIKey
- ROJNXRWXKXAUPJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(nnn1c2nonc2(N))C(=O)N3CCCCCC3
- Standard InChI
- InChI=1S/C12H17N7O2/c1-8-9(12(20)18-6-4-2-3-5-7-18)14-17-19(8)11-10(13)15-21-16-11/h2-7H2,1H3,(H2,13,15)
- Stored Murcko scaffold
- n1nn(cc1[CH]N2CCCCCC2)-c3nonc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.359
- 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 · 14737478