Molecule card · MolClass #40908
14738528
14738528: 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
- 14738528Mitochondrial Fusion · compound_name
- MolClass ID
- 40908
- InChIKey
- FGDQBHPBLLRSDR-QPEQYQDCSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(O)=CC2=NCC(C)NC2(=O)
- Standard InChI
- InChI=1S/C14H16N2O2/c1-9-3-5-11(6-4-9)13(17)7-12-14(18)16-10(2)8-15-12/h3-7,10,17H,8H2,1-2H3,(H,16,18)/b13-7-
- Stored Murcko scaffold
- N1=C(C=Cc2ccccc2)[CH]NCC1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.127
- 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 · 14738528