Molecule card · MolClass #41707

24802312

24802312: 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: 24802312Mitochondrial Fusion · compound_name
MolClass ID: 41707
InChIKey: FPBUZWJLOHSAGN-SFHVURJKSA-N
Canonical SMILES: Cc1ccc(cc1)C(=O)N4N=C3c2ccccc2S(=O)(=O)N3C4(N(C)C)
Standard InChI: InChI=1S/C18H18N4O3S/c1-12-8-10-13(11-9-12)17(23)21-18(20(2)3)22-16(19-21)14-6-4-5-7-15(14)26(22,24)25/h4-11,18H,1-3H3/t18-/m0/s1
Stored Murcko scaffold: N1=C2c3ccccc3SN2CN1[CH]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.

1980255#18257
14720789#33280

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 81.67 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 370.427 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.958; 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 · 24802312