Molecule card · MolClass #12710
1915239
1915239: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 12710
- InChIKey
- UFYUSLHSUTUBIB-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)CN3C(=O)C(=O)c2ccccc23
- Standard InChI
- InChI=1S/C15H18N2O2/c1-11-6-8-16(9-7-11)10-17-13-5-3-2-4-12(13)14(18)15(17)19/h2-5,11H,6-10H2,1H3
- Stored Murcko scaffold
- c1ccc2c(c1)ccn2CN3CCCCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.089
- 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 · 1915239
Auto-fluorescence Prediction
Dataset #13 · 1915239