Molecule card · MolClass #36519

4257726

4257726: 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: 4257726Mitochondrial Fusion · compound_name
MolClass ID: 36519
InChIKey: GOMHVJXSMQEXRS-UHFFFAOYSA-N
Canonical SMILES: C1CCc3c(C1)c2c4nncn4(cnc2s3)
Standard InChI: InChI=1S/C11H10N4S/c1-2-4-8-7(3-1)9-10-14-13-6-15(10)5-12-11(9)16-8/h5-6H,1-4H2
Stored Murcko scaffold: n1nc2c3c(ncn2c1)sc4c3CCCC4

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.

4256924#36375
CC1CCc2c(C1)sc1N=Cn3c(C)nnc3c12#151313

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 71.32 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 230.29 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.588; 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 · 4257726