Molecule card · MolClass #37461

24788337

24788337: 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: 24788337Mitochondrial Fusion · compound_name
MolClass ID: 37461
InChIKey: KBMCPIPKUAOHGK-UHFFFAOYSA-N
Canonical SMILES: CC1=NN=C(N(N)C1(=O))SCc2ccccc2Cl
Standard InChI: InChI=1S/C11H11ClN4OS/c1-7-10(17)16(13)11(15-14-7)18-6-8-4-2-3-5-9(8)12/h2-5H,6,13H2,1H3
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
17514739#37545
17514955#37592
24834533#38293
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: 282.751 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.442; 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 · 24788337