Molecule card · MolClass #47237
24785186
24785186: 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
- 24785186Mitochondrial Fusion · compound_name
- MolClass ID
- 47237
- InChIKey
- GLGRQXFDVMPFPY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)Cc3nnc(CCC(=O)N(C)C2CCOC2)o3
- Standard InChI
- InChI=1S/C18H23N3O3/c1-13-4-3-5-14(10-13)11-17-20-19-16(24-17)6-7-18(22)21(2)15-8-9-23-12-15/h3-5,10,15H,6-9,11-12H2,1-2H3
- Stored Murcko scaffold
- n1nc(oc1Cc2ccccc2)CC[CH][N]C3COCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.674
- 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 · 24785186