Structure of molecule 29973

Molecule card · MolClass #29973

24841422

24841422: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
24841422Antifungal Pump Inhibitors · compound_name
24841422Mitochondrial Fusion · compound_name
MolClass ID
29973
InChIKey
SXPZFHCIUAADLD-UHFFFAOYSA-N
Canonical SMILES
Cc2cc(O)c(Oc1cc(C)cc(O)c1(O))c(O)c2
Standard InChI
InChI=1S/C14H14O5/c1-7-4-10(16)14(11(17)5-7)19-12-6-8(2)3-9(15)13(12)18/h3-6,15-18H,1-2H3
Stored Murcko scaffold
O(c1ccccc1)c2ccccc2

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.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
4
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
90.15 Ų
CDK 2.12 · 2026-08-19
Molecular weight
262.258 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.914
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.

  • Antifungal Pump Inhibitors

    Dataset #18 · 24841422

  • Mitochondrial Fusion

    Dataset #19 · 24841422