Molecule card · MolClass #41292

24708217

24708217: 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: 24708217Mitochondrial Fusion · compound_name
MolClass ID: 41292
InChIKey: ZWBUDPLLCGCUNN-NSHDSACASA-N
Canonical SMILES: NCCCCC(NC(=O)C1CCNCC1)c2nnc(CN)o2
Standard InChI: InChI=1S/C14H26N6O2/c15-6-2-1-3-11(14-20-19-12(9-16)22-14)18-13(21)10-4-7-17-8-5-10/h10-11,17H,1-9,15-16H2,(H,18,21)/t11-/m0/s1
Stored Murcko scaffold: n1nc(oc1)CN[CH]C2CCNCC2

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.

24708227#27627
24707945#38079

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 4; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 132.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 310.396 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.3; 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 · 24708217