Molecule card · MolClass #49305

24813992

24813992: 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: 24813992Mitochondrial Fusion · compound_name
MolClass ID: 49305
InChIKey: NEVRSSFZBJPDRR-UHFFFAOYSA-N
Canonical SMILES: CCOc2ccccc2(NC(=O)NC(=O)N(C)S(=O)(=O)c1ccc(C)cc1)
Standard InChI: InChI=1S/C18H21N3O5S/c1-4-26-16-8-6-5-7-15(16)19-17(22)20-18(23)21(3)27(24,25)14-11-9-13(2)10-12-14/h5-12H,4H2,1-3H3,(H2,19,20,22,23)
Stored Murcko scaffold: [N](Sc1ccccc1)[CH]N[CH]Nc2ccccc2

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 113.19 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 391.443 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.399; 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 · 24813992