Molecule card · MolClass #39986

14732130

14732130: 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: 14732130Mitochondrial Fusion · compound_name
MolClass ID: 39986
InChIKey: ZWCQCKUVEJJNLL-UHFFFAOYSA-N
Canonical SMILES: CCOc1ccc3c(c1)C4=C(C(C)(C)N3(C(=O)c2ccco2))SSC4=S
Standard InChI: InChI=1S/C19H17NO3S3/c1-4-22-11-7-8-13-12(10-11)15-16(25-26-18(15)24)19(2,3)20(13)17(21)14-6-5-9-23-14/h5-10H,4H2,1-3H3
Stored Murcko scaffold: o1cccc1[CH]N2c3ccccc3C=4[CH]SSC4C2

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.

565200#11151
14724546#38449
14727017#39789

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: 125.37 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 403.542 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.972; 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 · 14732130