Molecule card · MolClass #11474
1952130
1952130: 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
- 11474
- InChIKey
- PPYBNVWXAPYKKL-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2c(c1)cccc2[Si]4c5ccccc5(c3ccccc34)
- Standard InChI
- InChI=1S/C22H16Si/c1-2-10-17-16(8-1)9-7-15-20(17)23-21-13-5-3-11-18(21)19-12-4-6-14-22(19)23/h1-15,23H
- Stored Murcko scaffold
- c1ccc2c(c1)cccc2[SiH]3c4ccccc4-c5ccccc53
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.
- 1952132#11476
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- 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
- 0 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.127
- 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.
Chembank Cell Cycle Inhibitor Screen
Dataset #10 · 1952130