Molecule card · MolClass #36671

24783496

24783496: 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: 24783496Mitochondrial Fusion · compound_name
MolClass ID: 36671
InChIKey: FIYNZQYMGOBOGI-UHFFFAOYSA-N
Canonical SMILES: N#Cc1ccc3c(c1)nc2ccccn23
Standard InChI: InChI=1S/C12H7N3/c13-8-9-4-5-11-10(7-9)14-12-3-1-2-6-15(11)12/h1-7H
Stored Murcko scaffold: n1c2ccccc2n3ccccc13

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.

1584915#15622
17385901#27703
17514139#27943
17387078#29306
14742201#30885
14724166#31384
17406728#38443
842258#42239
14743375#43619
14746210#44478
14743374#45633
17515486#45794
24814460#49312
863107#52328

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 41.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 193.205 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.011; 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 · 24783496