Molecule card · MolClass #35903

857244

857244: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 857244Mitochondrial Fusion · compound_name
MolClass ID: 35903
InChIKey: VZXPRSDUKJLRAH-JRNXONEVSA-N
Canonical SMILES: CC(C)(C)N=C1SCC(C)(C=NO)S1
Standard InChI: InChI=1S/C9H16N2OS2/c1-8(2,3)11-7-13-6-9(4,14-7)5-10-12/h5,12H,6H2,1-4H3/b10-5+,11-7+
Stored Murcko scaffold: S1[CH]SCC1

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.

26660749#25522
865882#25678
858497#25844

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 95.55 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 232.369 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.054; 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 · 857244