Molecule card · MolClass #42348
17504134
17504134: 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
- 17504134Mitochondrial Fusion · compound_name
- MolClass ID
- 42348
- InChIKey
- HLYWXVZWUSZYED-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnc(nc1(O))SCC(=O)NNC(=O)CC#N
- Standard InChI
- InChI=1S/C9H10N6O3S/c1-5-8(18)11-9(15-12-5)19-4-7(17)14-13-6(16)2-3-10/h2,4H2,1H3,(H,13,16)(H,14,17)(H,11,15,18)
- Stored Murcko scaffold
- n1nccnc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 166.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.281 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.536
- 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 · 17504134