Molecule card · MolClass #48273
17410855
17410855: 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
- 17410855Mitochondrial Fusion · compound_name
- MolClass ID
- 48273
- InChIKey
- QYURLYBFWXTBLC-CMDGGOBGSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)NC=Cc2ccco2
- Standard InChI
- InChI=1S/C14H14N2O2/c1-11-4-6-12(7-5-11)16-14(17)15-9-8-13-3-2-10-18-13/h2-10H,1H3,(H2,15,16,17)/b9-8+
- Stored Murcko scaffold
- o1cccc1C=CN[CH]Nc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.203
- 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 · 17410855