Molecule card · MolClass #48011

7967284

7967284: 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: 7967284Mitochondrial Fusion · compound_name
MolClass ID: 48011
InChIKey: JMJJJJVCHDDLKS-UHFFFAOYSA-N
Canonical SMILES: COC(=O)CN2C(=O)CC(C)(C)S(=O)c1ccccc12
Standard InChI: InChI=1S/C14H17NO4S/c1-14(2)8-12(16)15(9-13(17)19-3)10-6-4-5-7-11(10)20(14)18/h4-7H,8-9H2,1-3H3
Stored Murcko scaffold: [N]1[CH]CCSc2ccccc12

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.

1988572#18317
7965599#39061
4246757#43792

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 82.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 295.356 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.081; 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 · 7967284