Molecule card · MolClass #51176
17403658
17403658: 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
- 17403658Mitochondrial Fusion · compound_name
- MolClass ID
- 51176
- InChIKey
- QJPYPBHIQXNFQK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)c4c2CCCCc2sc4(NC(=O)c3cccnc3)
- Standard InChI
- InChI=1S/C22H20N2O2S/c1-14-8-10-15(11-9-14)20(25)19-17-6-2-3-7-18(17)27-22(19)24-21(26)16-5-4-12-23-13-16/h4-5,8-13H,2-3,6-7H2,1H3,(H,24,26)
- Stored Murcko scaffold
- n1cccc(c1)[CH]Nc2sc3c(c2[CH]c4ccccc4)CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.473 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.113
- 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 · 17403658