Molecule card · MolClass #17640
1907954
1907954: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17410038Mitochondrial Fusion · compound_name
- MolClass ID
- 17640
- InChIKey
- WHIBWHMWXSWGFA-CMDGGOBGSA-N
- Canonical SMILES
- CC(=O)C2CC(NC(=O)c1ccc(cc1)Cl)C(=O)OC2(C=CN(C)C)
- Standard InChI
- InChI=1S/C18H17ClN2O4/c1-11(22)14-10-15(18(24)25-16(14)8-9-21(2)3)20-17(23)12-4-6-13(19)7-5-12/h4-10H,1-3H3,(H,20,23)/b9-8+
- Stored Murcko scaffold
- O1C=CC=C([CH]1)N[CH]c2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.792 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.057
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1907954
Mitochondrial Fusion
Dataset #19 · 17410038