Molecule card · MolClass #39671
7966932
7966932: 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
- 7966932Mitochondrial Fusion · compound_name
- MolClass ID
- 39671
- InChIKey
- PJNRYSAVQHQPGZ-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCc2c(C1)sc3NC(NC(=O)c23)c4cccc(c4)OC(=O)c5cccs5
- Standard InChI
- InChI=1S/C21H19N3O3S2/c1-24-8-7-14-16(11-24)29-20-17(14)19(25)22-18(23-20)12-4-2-5-13(10-12)27-21(26)15-6-3-9-28-15/h2-6,9-10,18,23H,7-8,11H2,1H3,(H,22,25)
- Stored Murcko scaffold
- O([CH]c1sccc1)c2cccc(c2)C3N[CH]c4c(sc5c4CCNC5)N3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 127.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 425.527 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.41
- 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 · 7966932