Structure of molecule 38124

Molecule card · MolClass #38124

24821809

24821809: 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
24821809Mitochondrial Fusion · compound_name
MolClass ID
38124
InChIKey
ZMUXHDBEHINODQ-UHFFFAOYSA-N
Canonical SMILES
Cc1cc2nc(ccn2(n1))c3cc(ccc3[N+](=O)[O-])N4CCOCC4
Standard InChI
InChI=1S/C17H17N5O3/c1-12-10-17-18-15(4-5-21(17)19-12)14-11-13(2-3-16(14)22(23)24)20-6-8-25-9-7-20/h2-5,10-11H,6-9H2,1H3
Stored Murcko scaffold
n1ccc2nc(ccn12)-c3cccc(c3)N4CCOCC4

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
85.8 Ų
CDK 2.12 · 2026-08-19
Molecular weight
339.349 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.57
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 · 24821809