Molecule card · MolClass #50820
17432073
17432073: 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
- 17432073Mitochondrial Fusion · compound_name
- MolClass ID
- 50820
- InChIKey
- VZFNUNJKWZJPIE-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccccc2(C(=O)NNC(NC(=O)c1ccco1)=S)
- Standard InChI
- InChI=1S/C14H13N3O4S/c1-20-10-6-3-2-5-9(10)12(18)16-17-14(22)15-13(19)11-7-4-8-21-11/h2-8H,1H3,(H,16,18)(H2,15,17,19,22)
- Stored Murcko scaffold
- o1cccc1[CH]N[CH]NN[CH]c2ccccc2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.766
- 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 · 17432073