Molecule card · MolClass #51518

14739089

14739089: 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: 14739089Mitochondrial Fusion · compound_name
MolClass ID: 51518
InChIKey: POGAZYBZFRTRDD-UHFFFAOYSA-N
Canonical SMILES: Cc2cc(ccc2(OCCn1ccnc1))C(C)(C)C
Standard InChI: InChI=1S/C16H22N2O/c1-13-11-14(16(2,3)4)5-6-15(13)19-10-9-18-8-7-17-12-18/h5-8,11-12H,9-10H2,1-4H3
Stored Murcko scaffold: n1ccn(c1)CCOc2ccccc2

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.

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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 27.05 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 258.359 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.036; 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 · 14739089