Molecule card · MolClass #45377
14742265
14742265: 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
- 14742265Mitochondrial Fusion · compound_name
- MolClass ID
- 45377
- InChIKey
- RSZJXJDAKGRHAG-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccccc2(C(=O)NNC=1CCCC=1(C(=O)C(F)(F)F))
- Standard InChI
- InChI=1S/C15H15F3N2O3/c1-23-12-8-3-2-5-10(12)14(22)20-19-11-7-4-6-9(11)13(21)15(16,17)18/h2-3,5,8,19H,4,6-7H2,1H3,(H,20,22)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NNC2=CCCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.158
- 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 · 14742265