Molecule card · MolClass #45983

24819855

24819855: 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: 24819855Mitochondrial Fusion · compound_name
MolClass ID: 45983
InChIKey: VZEHWEXZTGVCKD-UHFFFAOYSA-N
Canonical SMILES: Cc1cc(C)c(c(n1)Cl)S(=O)(=O)c2ccccc2Cl
Standard InChI: InChI=1S/C13H11Cl2NO2S/c1-8-7-9(2)16-13(15)12(8)19(17,18)11-6-4-3-5-10(11)14/h3-7H,1-2H3
Stored Murcko scaffold: n1cccc(Sc2ccccc2)c1

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.

49665891#30480
14729904#31203
14732020#41044
17411057#46013
17410612#47777
24824445#47811
17411359#47881
14733351#51641

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 55.41 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 316.204 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.618; 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 · 24819855