Molecule card · MolClass #35764

24707806

24707806: 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: 24707806Mitochondrial Fusion · compound_name
MolClass ID: 35764
InChIKey: GAPXCKFDPIHPLY-JTQLQIEISA-N
Canonical SMILES: CC(C(=O)N1CCNCC1)n2cc(CCCN=C(N)N)nn2
Standard InChI: InChI=1S/C13H24N8O/c1-10(12(22)20-7-5-16-6-8-20)21-9-11(18-19-21)3-2-4-17-13(14)15/h9-10,16H,2-8H2,1H3,(H4,14,15,17)/t10-/m0/s1
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
24707814#35826
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: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 127.45 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 308.383 g/mol; CDK 2.12 · 2026-08-19
XLogP: -1.423; 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 · 24707806