Molecule card · MolClass #38932
24831189
24831189: 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
- 24831189Mitochondrial Fusion · compound_name
- MolClass ID
- 38932
- InChIKey
- ZLEXTCJSZDVHNF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)N2N=C(CCC2(=O))C(=O)Nc3nccs3
- Standard InChI
- InChI=1S/C16H16N4O2S/c1-10-3-4-11(2)13(9-10)20-14(21)6-5-12(19-20)15(22)18-16-17-7-8-23-16/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,22)
- Stored Murcko scaffold
- n1ccsc1N[CH]C2=NN([CH]CC2)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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.634
- 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 · 24831189