Molecule card · MolClass #40194
865775
865775: 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
- 865775Mitochondrial Fusion · compound_name
- MolClass ID
- 40194
- InChIKey
- FZZWTGRGGPGPLE-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)OCc5nn4c(Cn3cnc2ccccc23)nnc4s5
- Standard InChI
- InChI=1S/C19H16N6O2S/c1-26-13-6-8-14(9-7-13)27-11-18-23-25-17(21-22-19(25)28-18)10-24-12-20-15-4-2-3-5-16(15)24/h2-9,12H,10-11H2,1H3
- Stored Murcko scaffold
- n1nc(n2nc(sc12)COc3ccccc3)Cn4cnc5ccccc54
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.
- 4264758#28620
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.436 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.034
- 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 · 865775