Molecule card · MolClass #52142

4250134

4250134: 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: 4250134Mitochondrial Fusion · compound_name
MolClass ID: 52142
InChIKey: UIDCWOMTDGDPAX-UHFFFAOYSA-N
Canonical SMILES: CC(C)CCNC(=O)CCCOC1=CC(=O)N(C)c2ccccc12
Standard InChI: InChI=1S/C19H26N2O3/c1-14(2)10-11-20-18(22)9-6-12-24-17-13-19(23)21(3)16-8-5-4-7-15(16)17/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,20,22)
Stored Murcko scaffold: n1cccc2ccccc12

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 58.64 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 330.422 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.171; 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 · 4250134