Molecule card · MolClass #13145
1918345
1918345: 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
- 13145
- InChIKey
- AAHBSBXPWBLDSX-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccccc1C(=O)NN=C2CCCCCCC2
- Standard InChI
- InChI=1S/C15H20N2O2/c18-14-11-7-6-10-13(14)15(19)17-16-12-8-4-2-1-3-5-9-12/h6-7,10-11,18H,1-5,8-9H2,(H,17,19)
- Stored Murcko scaffold
- N(N[CH]c1ccccc1)=C2CCCCCCC2
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
- 4
- 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
- 61.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.846
- 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 · 1918345