Molecule card · MolClass #38239

24799380

24799380: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 24799380Mitochondrial Fusion · compound_name
MolClass ID: 38239
InChIKey: FJSDXNVQZJGYCP-UHFFFAOYSA-N
Canonical SMILES: COc4ccc(CN3CCN(Cc1cccc2nonc12)CC3(CCO))c(C)c4(C)
Standard InChI: InChI=1S/C23H30N4O3/c1-16-17(2)22(29-3)8-7-18(16)14-27-11-10-26(15-20(27)9-12-28)13-19-5-4-6-21-23(19)25-30-24-21/h4-8,20,28H,9-15H2,1-3H3
Stored Murcko scaffold: n1onc2c1cccc2CN3CCN(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.

24784266#39687
24786434#41808

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: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 74.86 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 410.51 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.04; 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 · 24799380