Molecule card · MolClass #23565
ZINC07777835
ZINC07777835: 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
- ZINC07777835Metabolite Likeness · compound_name
- MolClass ID
- 23565
- InChIKey
- TZBPLDNSMAJLSI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn2c4ccccc4(c(nc2(c1Cl))Oc3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C17H11Cl2N3O/c1-10-15(19)16-20-17(23-12-8-6-11(18)7-9-12)13-4-2-3-5-14(13)22(16)21-10/h2-9H,1H3
- Stored Murcko scaffold
- n1ccc2nc(Oc3ccccc3)c4ccccc4n12
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.195 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.483
- 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.
Metabolite Likeness
Dataset #15 · ZINC07777835