Molecule card · MolClass #37342
24821653
24821653: 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
- 24821653Mitochondrial Fusion · compound_name
- MolClass ID
- 37342
- InChIKey
- DEHRBVPGHLIAFC-UHFFFAOYSA-N
- Canonical SMILES
- CCn1c(nnc1S)C2=NN(C=CC2(=O))c3ccc(C)cc3
- Standard InChI
- InChI=1S/C15H15N5OS/c1-3-19-14(16-17-15(19)22)13-12(21)8-9-20(18-13)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,17,22)
- Stored Murcko scaffold
- n1nc([nH]c1)C2=NN(C=C[CH]2)c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.227
- 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 · 24821653