Molecule card · MolClass #39029
14722608
14722608: 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
- 14722608Mitochondrial Fusion · compound_name
- MolClass ID
- 39029
- InChIKey
- FKTQXYWMLZSYRO-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(ccc1n2cnnn2)S(=O)(=O)NCC4OCCc3ccccc34
- Standard InChI
- InChI=1S/C18H19N5O4S/c1-26-17-10-14(6-7-16(17)23-12-19-21-22-23)28(24,25)20-11-18-15-5-3-2-4-13(15)8-9-27-18/h2-7,10,12,18,20H,8-9,11H2,1H3
- Stored Murcko scaffold
- n1ncn(n1)-c2ccc(SNCC3OCCc4ccccc43)cc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.009
- 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 · 14722608