Molecule card · MolClass #36032
863537
863537: 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
- 863537Mitochondrial Fusion · compound_name
- MolClass ID
- 36032
- InChIKey
- OAZYEFWJQUUASI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccco1)N3C(N=C2C=CC=CN23)=S
- Standard InChI
- InChI=1S/C11H7N3O2S/c15-10(8-4-3-7-16-8)14-11(17)12-9-5-1-2-6-13(9)14/h1-7H
- Stored Murcko scaffold
- N=1[CH]N([CH]c2occc2)N3C=CC=CC13
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.
- ZINC00539219#23859
- 862647#26888
- 14729710#35814
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.229
- 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 · 863537