Molecule card · MolClass #37854
17406887
17406887: 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
- 17406887Mitochondrial Fusion · compound_name
- MolClass ID
- 37854
- InChIKey
- UFMCIWKBHLCQME-UHFFFAOYSA-N
- Canonical SMILES
- CCC3=C(O)C=C(c1cccnc1)N(c2ccc(cc2)Cl)C3(=O)
- Standard InChI
- InChI=1S/C18H15ClN2O2/c1-2-15-17(22)10-16(12-4-3-9-20-11-12)21(18(15)23)14-7-5-13(19)6-8-14/h3-11,22H,2H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)C2=CC=C[CH]N2c3ccccc3
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.
- 17406868#37332
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.778 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.482
- 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 · 17406887