Molecule card · MolClass #4367

53693-67-7

53693-67-7: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 4367
InChIKey: JZIAOTUERDUSJC-UHFFFAOYSA-N
Canonical SMILES: Nc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)c4ccc(N)cc4
Standard InChI: InChI=1S/C24H20N2/c25-23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(26)16-12-22/h1-16H,25-26H2
Stored Murcko scaffold: c1ccc(cc1)-c2ccc(cc2)-c3ccc(cc3)-c4ccccc4

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.

53693-68-8#3364
18434-08-7#6006

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 52.04 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 336.43 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.208; 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 · 53693-67-7