Molecule card · MolClass #49227

24816286

24816286: 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: 24816286Mitochondrial Fusion · compound_name
MolClass ID: 49227
InChIKey: LURANIDCNOHTRF-UHFFFAOYSA-N
Canonical SMILES: Cc4ccc3c(nc(N(CCCN(C)C)C(=O)c2nc1ccccc1s2)s3)c4(C)
Standard InChI: InChI=1S/C22H24N4OS2/c1-14-10-11-18-19(15(14)2)24-22(29-18)26(13-7-12-25(3)4)21(27)20-23-16-8-5-6-9-17(16)28-20/h5-6,8-11H,7,12-13H2,1-4H3
Stored Murcko scaffold: [N]([CH]c1nc2ccccc2s1)c3nc4ccccc4s3

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 105.81 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 424.585 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.46; 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 · 24816286