Molecule card · MolClass #35826

24707814

24707814: 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: 24707814Mitochondrial Fusion · compound_name
MolClass ID: 35826
InChIKey: ODOYDUCRQAFXCN-UHFFFAOYSA-N
Canonical SMILES: OCCc2cn(CC(=O)N1CCNCC1)nn2
Standard InChI: InChI=1S/C10H17N5O2/c16-6-1-9-7-15(13-12-9)8-10(17)14-4-2-11-3-5-14/h7,11,16H,1-6,8H2
Stored Murcko scaffold: n1nn(cc1)C[CH]N2CCNCC2

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.

57267446#26960
24708144#29998
24707806#35764
24708143#35831
24708104#35882
24707868#35916
24708164#35968
24708233#36000
24708065#36013
24707893#36130
24708114#36185
24707965#36195

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 83.28 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 239.275 g/mol; CDK 2.12 · 2026-08-19
XLogP: -1.962; 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 · 24707814