Molecule card · MolClass #18036
1634062
1634062: 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
- 18036
- InChIKey
- QYZNJZOCRLRQDD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)C3Nc4ccccc4(C(=O)N3(OC(=O)c2c(F)cccc2(F)))
- Standard InChI
- InChI=1S/C22H14F2N2O3/c1-13-6-4-7-14(12-13)20-25-18-11-3-2-8-15(18)21(27)26(20)29-22(28)19-16(23)9-5-10-17(19)24/h2-12H,1H3
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N(O[CH]c3ccccc3)C1c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.363
- 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 · 1634062