Molecule card · MolClass #11353

1913233

1913233: 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

MolClass ID: 11353
InChIKey: FSNQFQBZCXSROE-UHFFFAOYSA-N
Canonical SMILES: c1ccc(cc1)c2cnc(o2)c3ccc(cc3)c4cnc(o4)c5ccccc5
Standard InChI: InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-26-24(27-21)20-13-11-18(12-14-20)22-16-25-23(28-22)19-9-5-2-6-10-19/h1-16H
Stored Murcko scaffold: n1cc(oc1-c2ccccc2)-c3ccc(cc3)-c4ncc(o4)-c5ccccc5

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 0; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 52.06 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 364.397 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.088; 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.

Chembank Cell Cycle Inhibitor Screen
Dataset #10 · 1913233