Molecule card · MolClass #41571

14731745

14731745: 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: 14731745Mitochondrial Fusion · compound_name
MolClass ID: 41571
InChIKey: LAZKHPXNAKRMSI-LFIBNONCSA-N
Canonical SMILES: CCOc1ccc(cc1)C=C2C(=O)N(C(=S)S2)n3c(C)ccc3(C)
Standard InChI: InChI=1S/C18H18N2O2S2/c1-4-22-15-9-7-14(8-10-15)11-16-17(21)20(18(23)24-16)19-12(2)5-6-13(19)3/h5-11H,4H2,1-3H3/b16-11+
Stored Murcko scaffold: S1[CH]N([CH]C1=Cc2ccccc2)n3cccc3

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.

14739374#33718
14733895#39488

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 91.86 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 358.481 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.774; 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 · 14731745