Molecule card · MolClass #38449

14724546

14724546: 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: 14724546Mitochondrial Fusion · compound_name
MolClass ID: 38449
InChIKey: NEVVRUDKXFSGJC-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc3c(c1)C4=C(C(C)(C)N3(C(=O)c2ccco2))SSC4=S
Standard InChI: InChI=1S/C18H15NO2S3/c1-10-6-7-12-11(9-10)14-15(23-24-17(14)22)18(2,3)19(12)16(20)13-5-4-8-21-13/h4-9H,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
14727017#39789
14732130#39986

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 116.14 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 373.516 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.071; 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 · 14724546