Molecule card · MolClass #38176
24836634
24836634: 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
- 24836634Mitochondrial Fusion · compound_name
- MolClass ID
- 38176
- InChIKey
- XZPAODOSZXXBRT-GHXNOFRVSA-N
- Canonical SMILES
- Cc3nn(Cc1ccccc1)c(c3(C=C2NC(NC2(=O))=S))Cl
- Standard InChI
- InChI=1S/C15H13ClN4OS/c1-9-11(7-12-14(21)18-15(22)17-12)13(16)20(19-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,17,18,21,22)/b12-7-
- Stored Murcko scaffold
- n1cc(C=C2[CH]N[CH]N2)cn1Cc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.81 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.415
- 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 · 24836634