Molecule card · MolClass #44574

14738244

14738244: 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: 14738244Mitochondrial Fusion · compound_name
MolClass ID: 44574
InChIKey: GYWBZWLRGRTYLL-UHFFFAOYSA-N
Canonical SMILES: COC(=O)c4cc1ccsc1n4(Cc2nc(oc2(C))c3cccc(c3)Cl)
Standard InChI: InChI=1S/C19H15ClN2O3S/c1-11-15(21-17(25-11)12-4-3-5-14(20)8-12)10-22-16(19(23)24-2)9-13-6-7-26-18(13)22/h3-9H,10H2,1-2H3
Stored Murcko scaffold: n1c(occ1Cn2ccc3ccsc32)-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.

14738245#44575
4241544#45103

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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 85.5 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 386.854 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.45; 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 · 14738244