Molecule card · MolClass #2397
4-(4-chlorophenyl)-N-(3-pyridinylmethylene)-1-piperazinamine
4-(4-chlorophenyl)-N-(3-pyridinylmethylene)-1-piperazinamine: 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
- 4-(4-chlorophenyl)-N-(3-pyridinylmethylene)-1-piperazinamineCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2397
- InChIKey
- JOLWGNXKNLMALN-UHFFFAOYSA-N
- Canonical SMILES
- c1cncc(c1)C=NN2CCN(CC2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C16H17ClN4/c17-15-3-5-16(6-4-15)20-8-10-21(11-9-20)19-13-14-2-1-7-18-12-14/h1-7,12-13H,8-11H2
- Stored Murcko scaffold
- n1cccc(c1)C=NN2CCN(c3ccccc3)CC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 31.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.787 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.71
- 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 · 15.1964504499322