Molecule card · MolClass #38008

24784119

24784119: 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: 24784119Mitochondrial Fusion · compound_name
MolClass ID: 38008
InChIKey: YGAXOMXVAAPJNR-UHFFFAOYSA-N
Canonical SMILES: CCOc1ccc(cc1)CN2CCN(CC2(CCO))Cc4cccn4(c3cccnc3)
Standard InChI: InChI=1S/C25H32N4O2/c1-2-31-25-9-7-21(8-10-25)18-28-15-14-27(19-23(28)11-16-30)20-24-6-4-13-29(24)22-5-3-12-26-17-22/h3-10,12-13,17,23,30H,2,11,14-16,18-20H2,1H3
Stored Murcko scaffold: n1cccc(c1)-n2cccc2CN3CCN(Cc4ccccc4)CC3

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.

24799985#36852
24800227#37697

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: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 53.76 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 420.548 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.575; 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 · 24784119