Molecule card · MolClass #42273
17508079
17508079: 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
- 17508079Mitochondrial Fusion · compound_name
- MolClass ID
- 42273
- InChIKey
- PAGMMCDSOZJWJM-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(=O)NNC(=O)CSc1nnc(C)c(O)n1
- Standard InChI
- InChI=1S/C10H15N5O3S/c1-5(2)8(17)14-13-7(16)4-19-10-11-9(18)6(3)12-15-10/h5H,4H2,1-3H3,(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
- 8
- 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
- 142.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.302
- 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 · 17508079