Molecule card · MolClass #43015

24780168

24780168: 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: 24780168Mitochondrial Fusion · compound_name
MolClass ID: 43015
InChIKey: CWJHMYPTPQKXNK-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)CN4CCN(Cc2cccc3OCOc23)CC4(CCO)
Standard InChI: InChI=1S/C22H28N2O3/c1-17-5-7-18(8-6-17)13-24-11-10-23(15-20(24)9-12-25)14-19-3-2-4-21-22(19)27-16-26-21/h2-8,20,25H,9-16H2,1H3
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.

24786138#41001
24780302#41669

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 45.17 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 368.47 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.738; 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 · 24780168