Molecule card · MolClass #41919

24819948

24819948: 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: 24819948Mitochondrial Fusion · compound_name
MolClass ID: 41919
InChIKey: TYIDKINXJTXPNQ-UHFFFAOYSA-N
Canonical SMILES: Oc2ccc(Cc1ccc(cc1)Cl)nn2
Standard InChI: InChI=1S/C11H9ClN2O/c12-9-3-1-8(2-4-9)7-10-5-6-11(15)14-13-10/h1-6H,7H2,(H,14,15)
Stored Murcko scaffold: n1nc(ccc1)Cc2ccccc2

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.

24820229#28224
24818409#30747
24821097#33456
24818418#42130
24817617#42132
24819226#44177
14733063#46244
24818412#46375

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 46.01 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 220.655 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.728; 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 · 24819948