Molecule card · MolClass #37992

24810695

24810695: 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: 24810695Mitochondrial Fusion · compound_name
MolClass ID: 37992
InChIKey: CCHBVOMZVOGDAS-UHFFFAOYSA-N
Canonical SMILES: COc1ccc(nn1)Oc2cc(C)nc(n2)Cl
Standard InChI: InChI=1S/C10H9ClN4O2/c1-6-5-9(13-10(11)12-6)17-8-4-3-7(16-2)14-15-8/h3-5H,1-2H3
Stored Murcko scaffold: n1nc(Oc2ncncc2)ccc1

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.

3120095#14975
24823318#29401
14726845#31301
24787741#37983
24818337#40316

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: 70.02 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 252.657 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.253; 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 · 24810695