Molecule card · MolClass #16540
2074929
2074929: 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
- 16540
- InChIKey
- DVKZCESWJUYTRB-UHFFFAOYSA-N
- Canonical SMILES
- O=C4CC2(CCCc1ccccc12)(C(=O)N4(CN3CCCCC3))
- Standard InChI
- InChI=1S/C19H24N2O2/c22-17-13-19(10-6-8-15-7-2-3-9-16(15)19)18(23)21(17)14-20-11-4-1-5-12-20/h2-3,7,9H,1,4-6,8,10-14H2
- Stored Murcko scaffold
- c1ccc2c(c1)CCCC32[CH]N([CH]C3)CN4CCCCC4
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
- 312.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.61
- 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.
Auto-fluorescence Prediction
Dataset #13 · 2074929