Molecule card · MolClass #45375

7971737

7971737: 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: 7971737Mitochondrial Fusion · compound_name
MolClass ID: 45375
InChIKey: LSWDYGGBRDKXDR-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)C(c3c(O)n2ncnc2s3)N4CCCCC4
Standard InChI: InChI=1S/C17H20N4OS/c1-12-5-7-13(8-6-12)14(20-9-3-2-4-10-20)15-16(22)21-17(23-15)18-11-19-21/h5-8,11,14,22H,2-4,9-10H2,1H3
Stored Murcko scaffold: n1cnn2cc(sc12)C(c3ccccc3)N4CCCCC4

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.

2069216#14952
4244977#39701
4244874#42968
7970854#45176
7971622#47176
7971469#48713

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; 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: 81.9 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 328.434 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.801; 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 · 7971737