Molecule card · MolClass #38911
7967467
7967467: 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
- 7967467Mitochondrial Fusion · compound_name
- MolClass ID
- 38911
- InChIKey
- ZUMIGXVHMRNBJI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(c2c(n1)N(C)C(=S)S2)N3CCCCC3
- Standard InChI
- InChI=1S/C12H16N4S2/c1-8-13-10-9(18-12(17)15(10)2)11(14-8)16-6-4-3-5-7-16/h3-7H2,1-2H3
- Stored Murcko scaffold
- n1cnc(c2scnc12)N3CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.09
- 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 · 7967467