Molecule card · MolClass #49297
24813802
24813802: 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
- 24813802Mitochondrial Fusion · compound_name
- MolClass ID
- 49297
- InChIKey
- RTMAZUJNQOZSRU-UHFFFAOYSA-N
- Canonical SMILES
- Oc1c4cnnc4(nc(n1c2ccc(cc2)Cl)SCc3c(F)cccc3(F))
- Standard InChI
- InChI=1S/C18H11ClF2N4OS/c19-10-4-6-11(7-5-10)25-17(26)12-8-22-24-16(12)23-18(25)27-9-13-14(20)2-1-3-15(13)21/h1-8,26H,9H2
- Stored Murcko scaffold
- n1nc-2nc(SCc3ccccc3)n(cc2c1)-c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.823 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.149
- 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 · 24813802