Structure of molecule 1833

Molecule card · MolClass #1833

Meclozine dihydrochloride

Meclozine dihydrochloride: 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
Meclozine dihydrochlorideFlucanozole Synergizer · compound_name
103604960Liver Toxcicity · compound_name
855589Mitochondrial Fusion · compound_name
MolClass ID
1833
InChIKey
OCJYIGYOJCODJL-UHFFFAOYSA-N
Canonical SMILES
Cc1cccc(c1)CN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl
Standard InChI
InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
Stored Murcko scaffold
c1ccc(cc1)CN2CCN(CC2)C(c3ccccc3)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.

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
5
CDK 2.12 · 2026-08-19
Topological polar surface area
6.48 Ų
CDK 2.12 · 2026-08-19
Molecular weight
390.949 g/mol
CDK 2.12 · 2026-08-19
XLogP
5.76
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 · Meclozine dihydrochloride

  • Liver Toxcicity

    Dataset #17 · 103604960

  • Mitochondrial Fusion

    Dataset #19 · 855589