Molecule card · MolClass #47393
7974657
7974657: 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
- 7974657Mitochondrial Fusion · compound_name
- MolClass ID
- 47393
- InChIKey
- RBAOTOWPSXRKBC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c1cc(no1)NC(=O)c2cc(F)c(F)c(F)c2(F)
- Standard InChI
- InChI=1S/C14H12F4N2O2/c1-14(2,3)8-5-9(20-22-8)19-13(21)6-4-7(15)11(17)12(18)10(6)16/h4-5H,1-3H3,(H,19,20,21)
- Stored Murcko scaffold
- n1occc1N[CH]c2ccccc2
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.
- 1612338#18425
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.667
- 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 · 7974657