Molecule card · MolClass #37353

7965312

7965312: 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: 7965312Mitochondrial Fusion · compound_name
MolClass ID: 37353
InChIKey: WSGCITCDIYWVOQ-UHFFFAOYSA-N
Canonical SMILES: COc1ccc(cc1)N4C(=O)C2CCCN2C4(c3cccs3)
Standard InChI: InChI=1S/C17H18N2O2S/c1-21-13-8-6-12(7-9-13)19-16(15-5-3-11-22-15)18-10-2-4-14(18)17(19)20/h3,5-9,11,14,16H,2,4,10H2,1H3
Stored Murcko scaffold: s1cccc1C2N([CH]C3N2CCC3)c4ccccc4

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.

24812454#36841
4245674#36922

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.02 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 314.404 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.269; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 7965312