Molecule card · MolClass #44471
17511138
17511138: 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
- 17511138Mitochondrial Fusion · compound_name
- MolClass ID
- 44471
- InChIKey
- NGJWJFPDZGOIGQ-CPNJWEJPSA-N
- Canonical SMILES
- Cc3cc(C)c(NC(=O)CON=C1CCCc2nonc12)c(C)c3
- Standard InChI
- InChI=1S/C17H20N4O3/c1-10-7-11(2)16(12(3)8-10)18-15(22)9-23-19-13-5-4-6-14-17(13)21-24-20-14/h7-8H,4-6,9H2,1-3H3,(H,18,22)/b19-13+
- Stored Murcko scaffold
- n1onc2c1C(=NOC[CH]Nc3ccccc3)CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.19
- 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 · 17511138