Molecule card · MolClass #38293

24834533

24834533: 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: 24834533Mitochondrial Fusion · compound_name
MolClass ID: 38293
InChIKey: SMBAPSKEXDHNHW-UHFFFAOYSA-N
Canonical SMILES: CC1=NN=C(N(N)C1(=O))SCc2c(cccc2Cl)Cl
Standard InChI: InChI=1S/C11H10Cl2N4OS/c1-6-10(18)17(14)11(16-15-6)19-5-7-8(12)3-2-4-9(7)13/h2-4H,5,14H2,1H3
Stored Murcko scaffold: n1nc(ncc1)SCc2ccccc2

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.

3123332#18028
24816412#36621
24788337#37461
17514739#37545
17514955#37592
24821617#45621

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 96.35 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 317.196 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.064; 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 · 24834533