Molecule card · MolClass #37828
4251959
4251959: 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
- 4251959Mitochondrial Fusion · compound_name
- MolClass ID
- 37828
- InChIKey
- QVCGITUFJPEAIL-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C1CCCN1C(c2ccccc2(F))N3c4ccc(F)cc4
- Standard InChI
- InChI=1S/C18H16F2N2O/c19-12-7-9-13(10-8-12)22-17(14-4-1-2-5-15(14)20)21-11-3-6-16(21)18(22)23/h1-2,4-5,7-10,16-17H,3,6,11H2
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C3N(CCC3)C2c4ccccc4
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.
View all molecules with this 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
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.614
- 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 · 4251959