Molecule card · MolClass #4430
15299-08-8
15299-08-8: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 4430
- InChIKey
- XYMGVEWHYUINOJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc4c(c1)c6cc2ccccc2c5cc3ccccc3c4c56
- Standard InChI
- InChI=1S/C25H16/c1-15-10-11-20-21(12-15)23-13-16-6-2-4-8-18(16)22-14-17-7-3-5-9-19(17)24(20)25(22)23/h2-14H,1H3
- Stored Murcko scaffold
- c1ccc2c(c1)cc3-c4ccccc4-c5c6ccccc6cc2c35
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.
- 5385-75-1#5689
- 74339-99-4#7009
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 0 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 8.115
- 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.
Toxicity Benchmark
Dataset #5 · 15299-08-8
Ames Categorization
Dataset #6 · 15299-08-8