Molecule card · MolClass #39281
14719112
14719112: 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
- 14719112Mitochondrial Fusion · compound_name
- MolClass ID
- 39281
- InChIKey
- RGSNLKUSSKHXDK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(C)c(C)c1C3Nc2ccccc2C(=O)N3(O)
- Standard InChI
- InChI=1S/C14H16N4O2/c1-8-12(9(2)17(3)16-8)13-15-11-7-5-4-6-10(11)14(19)18(13)20/h4-7,13,15,20H,1-3H3
- Stored Murcko scaffold
- n1cc(c[nH]1)C2[N][CH]c3ccccc3N2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.303 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.074
- 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 · 14719112