Molecule card · MolClass #38328

858494

858494: 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: 858494Mitochondrial Fusion · compound_name
MolClass ID: 38328
InChIKey: GBTQIQHSKGDVDJ-FUNVUKJBSA-N
Canonical SMILES: ON3C1CCCCC1N(O)C3(c2ccc(cc2Cl)Cl)
Standard InChI: InChI=1S/C13H16Cl2N2O2/c14-8-5-6-9(10(15)7-8)13-16(18)11-3-1-2-4-12(11)17(13)19/h5-7,11-13,18-19H,1-4H2/t11-,12+,13?
Stored Murcko scaffold: c1ccc(cc1)C2NC3CCCCC3N2

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.

14742245#30647
850672#41320

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 0; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 46.94 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 303.185 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.42; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 858494