Molecule card · MolClass #41001

24786138

24786138: 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: 24786138Mitochondrial Fusion · compound_name
MolClass ID: 41001
InChIKey: RKCILQMNCUQMNQ-UHFFFAOYSA-N
Canonical SMILES: CCOc4ccccc4(CN3CCN(Cc1cccc2OCOc12)CC3(CCO))
Standard InChI: InChI=1S/C23H30N2O4/c1-2-27-21-8-4-3-6-18(21)15-25-12-11-24(16-20(25)10-13-26)14-19-7-5-9-22-23(19)29-17-28-22/h3-9,20,26H,2,10-17H2,1H3
Stored Murcko scaffold: O1c2cccc(c2OC1)CN3CCN(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.

24780302#41669
24780168#43015

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 54.4 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 398.496 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.639; 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 · 24786138