Molecule card · MolClass #38886
14746043
14746043: 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
- 14746043Mitochondrial Fusion · compound_name
- MolClass ID
- 38886
- InChIKey
- YMXNPWMREYPIKK-KPKJPENVSA-N
- Canonical SMILES
- CN2C(=O)C=C(NN=Cc1cccs1)N(C)C2(=O)
- Standard InChI
- InChI=1S/C11H12N4O2S/c1-14-9(6-10(16)15(2)11(14)17)13-12-7-8-4-3-5-18-8/h3-7,13H,1-2H3/b12-7+
- Stored Murcko scaffold
- n1cnc(cc1)NN=Cc2sccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.282
- 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 · 14746043