Molecule card · MolClass #37865

24821866

24821866: 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: 24821866Mitochondrial Fusion · compound_name
MolClass ID: 37865
InChIKey: DIZJQGMLZSNNDB-RQZCQDPDSA-N
Canonical SMILES: Cn1c2ccccc2(c(C=NOC(=O)C(C)(C)C)c1Cl)
Standard InChI: InChI=1S/C15H17ClN2O2/c1-15(2,3)14(19)20-17-9-11-10-7-5-6-8-12(10)18(4)13(11)16/h5-9H,1-4H3/b17-9+
Stored Murcko scaffold: c1ccc2[nH]ccc2c1

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.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 43.59 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 292.761 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.18; 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 · 24821866