Molecule card · MolClass #51311

16953382

16953382: 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: 16953382Mitochondrial Fusion · compound_name
MolClass ID: 51311
InChIKey: BGOWMRGDUSUEFJ-HKOYGPOVSA-N
Canonical SMILES: Cc4ccc(cc4(NC2=CC(=NS(=O)(=O)c1cccs1)c3ccccc3(C2(=O))))Cl
Standard InChI: InChI=1S/C21H15ClN2O3S2/c1-13-8-9-14(22)11-17(13)23-19-12-18(15-5-2-3-6-16(15)21(19)25)24-29(26,27)20-7-4-10-28-20/h2-12,23H,1H3/b24-18+
Stored Murcko scaffold: N(Sc1sccc1)=C2C=C([CH]c3ccccc23)Nc4ccccc4

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.

17517158#50312
16953552#51310
14737154#51540
14727791#51798

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 112.22 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 442.941 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.737; 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 · 16953382