Molecule card · MolClass #38261
24803515
24803515: 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
- 24803515Mitochondrial Fusion · compound_name
- MolClass ID
- 38261
- InChIKey
- DDLOLBBTFATEHH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2c(c1)c(c(O)n2(C))C3=NC(NC3(=O))=S
- Standard InChI
- InChI=1S/C13H11N3O2S/c1-6-3-4-8-7(5-6)9(12(18)16(8)2)10-11(17)15-13(19)14-10/h3-5,18H,1-2H3,(H,15,17,19)
- Stored Murcko scaffold
- n1c[nH]cc1-c2c[nH]c3ccccc32
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.312 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.632
- 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 · 24803515