Molecule card · MolClass #42784
17386258
17386258: 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
- 17386258Mitochondrial Fusion · compound_name
- MolClass ID
- 42784
- InChIKey
- SVDJEUDUMUNLKY-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c5c1CCCCc1sc5(N=C2N4(N=C(CS2)c3cccs3))
- Standard InChI
- InChI=1S/C16H13N3OS3/c20-15-13-9-4-1-2-5-11(9)23-14(13)17-16-19(15)18-10(8-22-16)12-6-3-7-21-12/h3,6-7H,1-2,4-5,8H2
- Stored Murcko scaffold
- N=1c2sc3c(c2[CH]N4N=C(c5sccc5)CSC14)CCCC3
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
- 126.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.493 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.615
- 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 · 17386258