Structure of molecule 1527

Molecule card · MolClass #1527

Benzydamine hydrochloride

Benzydamine hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

3 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
Benzydamine hydrochlorideFlucanozole Synergizer · compound_name
49665028Antifungal Pump Inhibitors · compound_name
MolClass ID
1527
InChIKey
CNBGNNVCVSKAQZ-UHFFFAOYSA-N
Canonical SMILES
CN(C)CCCOc2nn(Cc1ccccc1)c3ccccc23
Standard InChI
InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
Stored Murcko scaffold
n1cc2ccccc2n1Cc3ccccc3

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
2
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
7
CDK 2.12 · 2026-08-19
Topological polar surface area
30.29 Ų
CDK 2.12 · 2026-08-19
Molecular weight
309.406 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.114
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.

  • Flucanozole Synergizer

    Dataset #3 · Benzydamine hydrochloride

  • Antifungal Pump Inhibitors

    Dataset #18 · 49665028

  • Microsome Clearance (AZ Hackathon)

    Dataset #31 · AZM54