Molecule card · MolClass #37923
24780608
24780608: 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
- 24780608Mitochondrial Fusion · compound_name
- MolClass ID
- 37923
- InChIKey
- OHKDTXAASLDLPT-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(NC(=O)c1c2ncnc(O)c2(ns1))
- Standard InChI
- InChI=1S/C13H10N4O2S/c1-7-4-2-3-5-8(7)16-13(19)11-9-10(17-20-11)12(18)15-6-14-9/h2-6H,1H3,(H,16,19)(H,14,15,18)
- Stored Murcko scaffold
- n1cnc2c(nsc2[CH]Nc3ccccc3)c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.608
- 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 · 24780608