Structure of molecule 1986

Molecule card · MolClass #1986

Meptazinol hydrochloride

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

2 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
Meptazinol hydrochlorideFlucanozole Synergizer · compound_name
56463157Antifungal Pump Inhibitors · compound_name
MolClass ID
1986
InChIKey
JLICHNCFTLFZJN-UHFFFAOYSA-N
Canonical SMILES
CCC1(CCCCN(C)C1)c2cccc(O)c2
Standard InChI
InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3
Stored Murcko scaffold
c1ccc(cc1)C2CNCCCC2

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
1
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
23.47 Ų
CDK 2.12 · 2026-08-19
Molecular weight
233.35 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.029
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 · Meptazinol hydrochloride

  • Antifungal Pump Inhibitors

    Dataset #18 · 56463157