Molecule card · MolClass #41148
14727918
14727918: 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
- 14727918Mitochondrial Fusion · compound_name
- MolClass ID
- 41148
- InChIKey
- AJRRZTBRPDJHLJ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCN2C=CC(=O)c1c2(ccnc1C(F)(F)F)
- Standard InChI
- InChI=1S/C14H15F3N2O/c1-2-3-4-8-19-9-6-11(20)12-10(19)5-7-18-13(12)14(15,16)17/h5-7,9H,2-4,8H2,1H3
- Stored Murcko scaffold
- n1ccc2NC=C[CH]c2c1
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.774
- 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 · 14727918