Molecule card · MolClass #2347
VALSARTAN
VALSARTAN: 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
- Imported compound names
- VALSARTANCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2347
- InChIKey
- Not recorded
- Canonical SMILES
- CCCCC(=O)N(Cc1ccc(cc1)c3ccccc3(c2n[nH]nn2))C(C(C)C)C(=O)O
- Standard InChI
- null
- Stored Murcko scaffold
- n1nc(n[nH]1)-c2ccccc2-c3ccccc3
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.
- 103292815#25326
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 435.52 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.741
- 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.
Compound accumulation in C. elegans
Dataset #4 · -8.71269427324413