Molecule card · MolClass #2223

PARAROSANILINE PAMOATE

PARAROSANILINE PAMOATE: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: PARAROSANILINE PAMOATECompound accumulation in C. elegans · compound_name
MolClass ID: 2223
InChIKey: JPCZXSYRGFYXTF-UHFFFAOYSA-N
Canonical SMILES: N=C1C=CC(C=C1)=C(c2cccc(N)c2)c3cccc(N)c3
Standard InChI: InChI=1S/C19H17N3/c20-16-9-7-13(8-10-16)19(14-3-1-5-17(21)11-14)15-4-2-6-18(22)12-15/h1-12,20H,21-22H2
Stored Murcko scaffold: [CH]1C=CC(C=C1)=C(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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 75.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 287.359 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.34; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Compound accumulation in C. elegans
Dataset #4 · -1.27391966090781