Molecule card · MolClass #51489

14740252

14740252: 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: 14740252Mitochondrial Fusion · compound_name
MolClass ID: 51489
InChIKey: HGBFBWJKJFZPAP-UHFFFAOYSA-N
Canonical SMILES: Cc2onc(c1ccccc1Cl)c2C(=O)Nc4nnc(c3cccc(c3)[N+](=O)[O-])s4
Standard InChI: InChI=1S/C19H12ClN5O4S/c1-10-15(16(24-29-10)13-7-2-3-8-14(13)20)17(26)21-19-23-22-18(30-19)11-5-4-6-12(9-11)25(27)28/h2-9H,1H3,(H,21,23,26)
Stored Murcko scaffold: n1nc(sc1N[CH]c2conc2-c3ccccc3)-c4ccccc4

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.

14740255#51486
14732730#51663

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 152.29 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 441.849 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.465; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 14740252