Molecule card · MolClass #35859
17401234
17401234: 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
- 17401234Mitochondrial Fusion · compound_name
- MolClass ID
- 35859
- InChIKey
- DPPZDYVQVRDVMM-UHFFFAOYSA-N
- Canonical SMILES
- CCn1ccc(n1)C(=O)NC2C(=O)N3C(C(=O)O)=C(C)CSC23
- Standard InChI
- InChI=1S/C14H16N4O4S/c1-3-17-5-4-8(16-17)11(19)15-9-12(20)18-10(14(21)22)7(2)6-23-13(9)18/h4-5,9,13H,3,6H2,1-2H3,(H,15,19)(H,21,22)
- Stored Murcko scaffold
- n1[nH]ccc1[CH]NC2[CH]N3C=CCSC32
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.136
- 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 · 17401234