Molecule card · MolClass #49645

24790100

24790100: 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: 24790100Mitochondrial Fusion · compound_name
MolClass ID: 49645
InChIKey: FDQCFFYFJWQIFE-UHFFFAOYSA-N
Canonical SMILES: COc1cccc(c1)c3cc4nc(cc(N2CCCC(O)C2)n4(n3))c5ccccc5
Standard InChI: InChI=1S/C24H24N4O2/c1-30-20-11-5-9-18(13-20)22-14-23-25-21(17-7-3-2-4-8-17)15-24(28(23)26-22)27-12-6-10-19(29)16-27/h2-5,7-9,11,13-15,19,29H,6,10,12,16H2,1H3
Stored Murcko scaffold: n1c(cc(n2nc(cc12)-c3ccccc3)N4CCCCC4)-c5ccccc5

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.

24790101#49647
24782266#49814

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: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 62.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 400.474 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.232; 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 · 24790100