Molecule card · MolClass #35952

14741342

14741342: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 14741342Mitochondrial Fusion · compound_name
MolClass ID: 35952
InChIKey: VNGQPOZLNHEJRS-CXUHLZMHSA-N
Canonical SMILES: Cc1ccc(cc1)C=[N+]([O-])C2C(C)(C)N(C)C(=S)S2
Standard InChI: InChI=1S/C14H18N2OS2/c1-10-5-7-11(8-6-10)9-16(17)12-14(2,3)15(4)13(18)19-12/h5-9,12H,1-4H3/b16-9+
Stored Murcko scaffold: [N]1[CH]SC([NH+]=Cc2ccccc2)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.

26666458#26376
14740795#35948
14742912#35950

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; 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: 86.7 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 294.438 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.154; 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 · 14741342