Molecule card · MolClass #38869
7973722
7973722: 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
- 7973722Mitochondrial Fusion · compound_name
- MolClass ID
- 38869
- InChIKey
- SIRZVUWZCZMOBB-UHFFFAOYSA-N
- Canonical SMILES
- C=C3CSC4=NC(=O)c2c1CCCCc1sc2N34
- Standard InChI
- InChI=1S/C13H12N2OS2/c1-7-6-17-13-14-11(16)10-8-4-2-3-5-9(8)18-12(10)15(7)13/h1-6H2
- Stored Murcko scaffold
- N=1[CH]c2c(sc3c2CCCC3)N4[CH]CSC14
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.898
- 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 · 7973722