Molecule card · MolClass #41485

24822375

24822375: 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: 24822375Mitochondrial Fusion · compound_name
MolClass ID: 41485
InChIKey: ZJSPJZXRWZLMGQ-UHFFFAOYSA-N
Canonical SMILES: CC(C)N(C(C)C)C(=O)CC2ON(C)C(=O)N2(c1ccc(cc1)Cl)
Standard InChI: InChI=1S/C17H24ClN3O3/c1-11(2)20(12(3)4)15(22)10-16-21(17(23)19(5)24-16)14-8-6-13(18)7-9-14/h6-9,11-12,16H,10H2,1-5H3
Stored Murcko scaffold: [N]1OCN([CH]1)c2ccccc2

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.

14740040#32950
14739928#41256

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; 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: 53.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 353.844 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.933; 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 · 24822375