Molecule card · MolClass #15480
1719541
1719541: 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
- 15480
- InChIKey
- FNZACQYAMZZXAZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC2NC1CCCCC1C3c4ccccc4(OC(=O)C23)
- Standard InChI
- InChI=1S/C18H16N2O3/c1-10(21)19-17-16-15(11-6-2-4-8-13(11)20-17)12-7-3-5-9-14(12)23-18(16)22/h3,5,7,9H,2,4,6,8H2,1H3,(H,19,20,21)
- Stored Murcko scaffold
- n1cc2[CH]Oc3ccccc3-c2c4c1CCCC4
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.736
- 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 · 1719541