Molecule card · MolClass #37252
14727671
14727671: 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
- 14727671Mitochondrial Fusion · compound_name
- MolClass ID
- 37252
- InChIKey
- MMVRFYXAPFEVTA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(C)cc1C3Nc2ccccc2C(=O)N3(O)
- Standard InChI
- InChI=1S/C13H14N4O2/c1-8-10(7-16(2)15-8)12-14-11-6-4-3-5-9(11)13(18)17(12)19/h3-7,12,14,19H,1-2H3
- 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
- 258.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.838
- 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 · 14727671