Molecule card · MolClass #37710

24782322

24782322: 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: 24782322Mitochondrial Fusion · compound_name
MolClass ID: 37710
InChIKey: ITMDMTPKWBJTJV-JTAQYXEDSA-N
Canonical SMILES: COc5ccccc5(CN3CC2CC(c1ccccc1)N4CCCC24(C3(=O)))
Standard InChI: InChI=1S/C23H26N2O2/c1-27-21-11-6-5-10-18(21)15-24-16-19-14-20(17-8-3-2-4-9-17)25-13-7-12-23(19,25)22(24)26/h2-6,8-11,19-20H,7,12-16H2,1H3/t19-,20-,23-/m0/s1
Stored Murcko scaffold: c1ccc(cc1)CN2[CH]C34N(CCC3)C(c5ccccc5)CC4C2

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.

24799428#36466
24782564#36847
24798825#36885
24800095#37428
24799880#37758

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 32.78 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 362.466 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.281; 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 · 24782322