Molecule card · MolClass #36751

14734254

14734254: 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: 14734254Mitochondrial Fusion · compound_name
MolClass ID: 36751
InChIKey: BVHWCNSBWPSOLG-UHFFFAOYSA-N
Canonical SMILES: c3cc2nnc(c1ccc(cc1Cl)Cl)n2c(c3)Cl
Standard InChI: InChI=1S/C12H6Cl3N3/c13-7-4-5-8(9(14)6-7)12-17-16-11-3-1-2-10(15)18(11)12/h1-6H
Stored Murcko scaffold: n1nc(-c2ccccc2)n3ccccc13

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.

1934456#15710
49679716#26831
17401389#27991
49669734#29413
4265212#37195
24804863#37478
851516#38940

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: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 30.19 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 298.555 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.68; 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 · 14734254