Molecule card · MolClass #45722

7969579

7969579: 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: 7969579Mitochondrial Fusion · compound_name
MolClass ID: 45722
InChIKey: LEWHZXXUFBAORR-UHFFFAOYSA-N
Canonical SMILES: CCCCNc2nc1c(C(=O)N(C)C(=O)N1(C))n2(CCC)
Standard InChI: InChI=1S/C14H23N5O2/c1-5-7-8-15-13-16-11-10(19(13)9-6-2)12(20)18(4)14(21)17(11)3/h5-9H2,1-4H3,(H,15,16)
Stored Murcko scaffold: n1cnc2nc[nH]c2c1

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.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 70.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 293.365 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.116; 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 · 7969579