Molecule card · MolClass #37234

24780794

24780794: 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: 24780794Mitochondrial Fusion · compound_name
MolClass ID: 37234
InChIKey: NNECCLGABCVYLY-UHFFFAOYSA-N
Canonical SMILES: O=C3Nc1ccccc1N(O)N3(c2ccc(cc2)Cl)
Standard InChI: InChI=1S/C13H10ClN3O2/c14-9-5-7-10(8-6-9)16-13(18)15-11-3-1-2-4-12(11)17(16)19/h1-8,19H,(H,15,18)
Stored Murcko scaffold: c1ccc(cc1)N2[CH]Nc3ccccc3N2

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.

24822691#36580
24821151#36716
17510759#36735
24811962#36880
14737072#37327
14732503#37491
24788846#37505
17511220#37550
14737073#37687
17510264#38949
24787044#39461

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 55.81 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 275.691 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.062; 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 · 24780794