Molecule card · MolClass #58934

CD 09192

CD 09192: 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: CD 09192Yeast Bioactive Library Cross-Kingdom · compound_name
MolClass ID: 58934
InChIKey: FRVZOILYNFWKIX-ONNFQVAWSA-N
Canonical SMILES: Cc1nnsc1C(=O)NN=Cc2ccc([N+](=O)[O-])s2
Standard InChI: InChI=1S/C9H7N5O3S2/c1-5-8(19-13-11-5)9(15)12-10-4-6-2-3-7(18-6)14(16)17/h2-4H,1H3,(H,12,15)/b10-4+
Stored Murcko scaffold: n1ncc(s1)[CH]NN=Cc2sccc2

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.

Cc1nnsc1C(=O)NN=Cc1ccc([N+](=O)[O-])s1#151784

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 166.86 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 297.316 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.507; 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.

Yeast Bioactive Library Cross-Kingdom
Dataset #23 · CD 09192