Molecule card · MolClass #48952
24831634
24831634: 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
- 24831634Mitochondrial Fusion · compound_name
- MolClass ID
- 48952
- InChIKey
- POSCETJONNOEJC-JZJYNLBNSA-N
- Canonical SMILES
- CN2N=C(CSC2(=NCc1ccccc1))c3ccc(F)c(F)c3
- Standard InChI
- InChI=1S/C17H15F2N3S/c1-22-17(20-10-12-5-3-2-4-6-12)23-11-16(21-22)13-7-8-14(18)15(19)9-13/h2-9H,10-11H2,1H3/b20-17-
- Stored Murcko scaffold
- N=1NC(=NCc2ccccc2)SCC1c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.067
- 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 · 24831634