Molecule card · MolClass #35860
17413119
17413119: 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
- 17413119Mitochondrial Fusion · compound_name
- MolClass ID
- 35860
- InChIKey
- CWYYNIAJZUWKJP-UHFFFAOYSA-N
- Canonical SMILES
- CCCN2C=Nc3c1cc4CSC(C)(C)Cc4(nc1sc3(C2(=O)))
- Standard InChI
- InChI=1S/C17H19N3OS2/c1-4-5-20-9-18-13-11-6-10-8-22-17(2,3)7-12(10)19-15(11)23-14(13)16(20)21/h6,9H,4-5,7-8H2,1-3H3
- Stored Murcko scaffold
- n1cnc2c(sc3nc4c(cc32)CSCC4)c1
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.
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
- 99.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.485 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.304
- 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 · 17413119