Molecule card · MolClass #51918

14720984

14720984: 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: 14720984Mitochondrial Fusion · compound_name
MolClass ID: 51918
InChIKey: YWWJFCDEPLSNQJ-UHFFFAOYSA-N
Canonical SMILES: C1CCN(CC1)c3nc2ccccc2c(n3)c4ccc(cc4)Cl
Standard InChI: InChI=1S/C19H18ClN3/c20-15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)21-19(22-18)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-13H2
Stored Murcko scaffold: n1c(nc(-c2ccccc2)c3ccccc13)N4CCCCC4

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.

661517#10922
14726163#51850

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 29.02 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 323.82 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.656; 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 · 14720984