Molecule card · MolClass #47085

14733860

14733860: 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: 14733860Mitochondrial Fusion · compound_name
MolClass ID: 47085
InChIKey: REAPZAKDUSEOSX-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N2CCN(C2)C(=O)CN3CCCCC3
Standard InChI: InChI=1S/C17H25N3O3S/c1-15-5-7-16(8-6-15)24(22,23)20-12-11-19(14-20)17(21)13-18-9-3-2-4-10-18/h5-8H,2-4,9-14H2,1H3
Stored Murcko scaffold: S(c1ccccc1)N2CN([CH]CN3CCCCC3)CC2

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.

24814435#45460
14732189#48288

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 69.31 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 351.465 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.505; 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 · 14733860