Molecule card · MolClass #38373

24800489

24800489: 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: 24800489Mitochondrial Fusion · compound_name
MolClass ID: 38373
InChIKey: YUWZMPHKYONFJP-UHFFFAOYSA-N
Canonical SMILES: CCOc1ccc(cc1)CN3CCN(CCCn2cccn2)CC3(CCO)
Standard InChI: InChI=1S/C21H32N4O2/c1-2-27-21-7-5-19(6-8-21)17-24-15-14-23(18-20(24)9-16-26)11-4-13-25-12-3-10-22-25/h3,5-8,10,12,20,26H,2,4,9,11,13-18H2,1H3
Stored Murcko scaffold: n1cccn1CCCN2CCN(Cc3ccccc3)CC2

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.

24800074#32463
24800173#36915
24785108#37406

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 53.76 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 372.505 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.185; 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 · 24800489