Molecule card · MolClass #47717
14736139
14736139: 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
- 14736139Mitochondrial Fusion · compound_name
- MolClass ID
- 47717
- InChIKey
- GOQNMKWIXYQCHS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(C)sc2ncnc(c12)SCC(=O)N3CCC(CC3)c5noc4ccc(F)cc45
- Standard InChI
- InChI=1S/C22H21FN4O2S2/c1-12-13(2)31-22-19(12)21(24-11-25-22)30-10-18(28)27-7-5-14(6-8-27)20-16-9-15(23)3-4-17(16)29-26-20/h3-4,9,11,14H,5-8,10H2,1-2H3
- Stored Murcko scaffold
- n1oc2ccccc2c1C3CCN([CH]CSc4ncnc5sccc54)CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 456.559 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.943
- 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 · 14736139