Molecule card · MolClass #43795

17506015

17506015: 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: 17506015Mitochondrial Fusion · compound_name
MolClass ID: 43795
InChIKey: OITMRGUQXMGHLC-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)NC4c3cccc2cccc(c23)C4Sc5ncccn5
Standard InChI: InChI=1S/C23H19N3O2S2/c1-15-9-11-17(12-10-15)30(27,28)26-21-18-7-2-5-16-6-3-8-19(20(16)18)22(21)29-23-24-13-4-14-25-23/h2-14,21-22,26H,1H3
Stored Murcko scaffold: n1cccnc1SC2c3cccc4cccc(c43)C2NSc5ccccc5

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.

17508000#43151
22411353#43690
17503726#44685

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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 105.63 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 433.549 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.03; 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 · 17506015