Molecule card · MolClass #13288
1919074
1919074: 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
- MolClass ID
- 13288
- InChIKey
- RDNSAQMYBXUHGD-UDWIEESQSA-N
- Canonical SMILES
- Oc3cccc4CCC(C=NNC1CCc2ccccc2(N1))Nc34
- Standard InChI
- InChI=1S/C19H14N4O/c24-17-7-3-5-14-8-10-15(21-19(14)17)12-20-23-18-11-9-13-4-1-2-6-16(13)22-18/h1-12,24H,(H,22,23)/b20-12+
- Stored Murcko scaffold
- N(=Cc1nc2ccccc2cc1)Nc3nc4ccccc4cc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.74
- 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.
Xenopus Actin Polymerization
Dataset #12 · 1919074