Molecule card · MolClass #48288

14732189

14732189: 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: 14732189Mitochondrial Fusion · compound_name
MolClass ID: 48288
InChIKey: DXZRCZBWHAKMQL-UHFFFAOYSA-N
Canonical SMILES: CC(C)C1N(CCN1S(=O)(=O)c2ccc(C)cc2)C(=O)CN3CCCCC3
Standard InChI: InChI=1S/C20H31N3O3S/c1-16(2)20-22(19(24)15-21-11-5-4-6-12-21)13-14-23(20)27(25,26)18-9-7-17(3)8-10-18/h7-10,16,20H,4-6,11-15H2,1-3H3
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
14733860#47085

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 69.31 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 393.545 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.62; 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 · 14732189