Structure of molecule 25863

Molecule card · MolClass #25863

14718784

14718784: 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
14718784Antifungal Pump Inhibitors · compound_name
14718784Mitochondrial Fusion · compound_name
MolClass ID
25863
InChIKey
OBQSKLCHFNSCAJ-UHFFFAOYSA-N
Canonical SMILES
Cc2cc3NC(Nc1ccc(F)c(c1)Cl)Sn3(n2)
Standard InChI
InChI=1S/C11H10ClFN4S/c1-6-4-10-15-11(18-17(10)16-6)14-7-2-3-9(13)8(12)5-7/h2-5,11,14-15H,1H3
Stored Murcko scaffold
n1ccc2NC(Sn12)Nc3ccccc3

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
67.18 Ų
CDK 2.12 · 2026-08-19
Molecular weight
284.742 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.513
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.

  • Antifungal Pump Inhibitors

    Dataset #18 · 14718784

  • Mitochondrial Fusion

    Dataset #19 · 14718784