Molecule card · MolClass #24965
C174-0509
C174-0509: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- C174-0509Compound aggregation · compound_name
- MolClass ID
- 24965
- InChIKey
- IWFLXKGOLQELPW-UHFFFAOYSA-N
- Canonical SMILES
- CCn3c(CCNC(=O)c1ccc(OC)c(c1)OC)nc2ccccc23
- Standard InChI
- InChI=1S/C20H23N3O3/c1-4-23-16-8-6-5-7-15(16)22-19(23)11-12-21-20(24)14-9-10-17(25-2)18(13-14)26-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,24)
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1CCN[CH]c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.889
- 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 · C174-0509