Molecule card · MolClass #43972
14729806
14729806: 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
- 14729806Mitochondrial Fusion · compound_name
- MolClass ID
- 43972
- InChIKey
- DCRQSHADRNZBTM-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CCC3C(=O)N(C(C)c1ccccc1)C(=O)C3(C2)
- Standard InChI
- InChI=1S/C17H19NO2/c1-11-8-9-14-15(10-11)17(20)18(16(14)19)12(2)13-6-4-3-5-7-13/h3-8,12,14-15H,9-10H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]C3CC=CCC3[CH]2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.338
- 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 · 14729806