Molecule card · MolClass #15466
1911224
1911224: 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
- 15466
- InChIKey
- SZFYVLYHQDPXNO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c2ncc(C#N)cn2
- Standard InChI
- InChI=1S/C10H9N5/c1-7-3-8(2)15(14-7)10-12-5-9(4-11)6-13-10/h3,5-6H,1-2H3
- Stored Murcko scaffold
- n1cccnc1-n2nccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 199.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.372
- 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 · 1911224