Molecule card · MolClass #24841

C711-0375

C711-0375: 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: C711-0375Compound aggregation · compound_name
MolClass ID: 24841
InChIKey: NMTSULOXUBKLDC-YVLHZVERSA-N
Canonical SMILES: CCOc1ccc(cc1)C=C2Oc3ccc(cc3(C2(=O)))C(=O)OC
Standard InChI: InChI=1S/C19H16O5/c1-3-23-14-7-4-12(5-8-14)10-17-18(20)15-11-13(19(21)22-2)6-9-16(15)24-17/h4-11H,3H2,1-2H3/b17-10-
Stored Murcko scaffold: O1C(=Cc2ccccc2)[CH]c3ccccc13

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.

1952239#11533
26657983#34777
17512679#40395
17514237#47149

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.83 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 324.328 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.906; 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.

Compound aggregation
Dataset #16 · C711-0375