Molecule card · MolClass #51236
17388627
17388627: 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
- 17388627Mitochondrial Fusion · compound_name
- MolClass ID
- 51236
- InChIKey
- GMOQZXFQYPFUDV-YBFXNURJSA-N
- Canonical SMILES
- Oc4ccc1ccccc1c4(C=Nc3nc2CCCCc2s3)
- Standard InChI
- InChI=1S/C18H16N2OS/c21-16-10-9-12-5-1-2-6-13(12)14(16)11-19-18-20-15-7-3-4-8-17(15)22-18/h1-2,5-6,9-11,21H,3-4,7-8H2/b19-11+
- Stored Murcko scaffold
- N(=Cc1cccc2ccccc12)c3nc4c(s3)CCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.355
- 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 · 17388627