Molecule card · MolClass #36084
14739012
14739012: 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
- 14739012Mitochondrial Fusion · compound_name
- MolClass ID
- 36084
- InChIKey
- QRBDCVYZAXZQLN-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(C(F)F)n2nc(cc2(N1))C(=O)O
- Standard InChI
- InChI=1S/C9H11F2N3O2/c1-4-2-6(8(10)11)14-7(12-4)3-5(13-14)9(15)16/h3-4,6,8,12H,2H2,1H3,(H,15,16)
- Stored Murcko scaffold
- n1ccc2NCCCn12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.2 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.156
- 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 · 14739012