Molecule card · MolClass #49135

24822248

24822248: 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: 24822248Mitochondrial Fusion · compound_name
MolClass ID: 49135
InChIKey: XXPMBLWPRXRSBN-MNLYNUCISA-N
Canonical SMILES: Not recorded
Standard InChI: InChI=1S/C50H70O15/c1-23(22-51)11-26-14-35(52)50(8)39(54-26)16-29-30(62-50)15-31-44(59-29)45-34(60-45)20-48(6)40(57-31)21-49(7)38(63-48)18-37-46(4,65-49)10-9-27-42(61-37)24(2)12-28-33(55-27)19-47(5)36(56-28)17-32-43(64-47)25(3)13-41(53)58-32/h13,22,24,26-40,42-45,52H,1,9-12,14-21H2,2-8H3/t24-,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?,45?,46-,47+,48-,49+,50+/m1/s1
Stored Murcko scaffold: O1[CH]C=CC2OC3CC4OC5CCC6OC7CC8OC9CC%10OC%11CCCOC%11CC%10OC9C%12OC%12CC8OC7CC6OC5CCC4OC3CC12

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 15; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 168.43 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 911.084 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.776; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24822248