Structure of molecule 1838

Molecule card · MolClass #1838

Ethaverine hydrochloride

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

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
Ethaverine hydrochlorideFlucanozole Synergizer · compound_name
ETHAVERINE HYDROCHLORIDECompound accumulation in C. elegans · compound_name
MolClass ID
1838
InChIKey
ZOWYFYXTIWQBEP-UHFFFAOYSA-N
Canonical SMILES
CCOc3ccc(Cc2nccc1cc(OCC)c(cc12)OCC)cc3(OCC)
Standard InChI
InChI=1S/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3
Stored Murcko scaffold
n1ccc2ccccc2c1Cc3ccccc3

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
1
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
10
CDK 2.12 · 2026-08-19
Topological polar surface area
49.81 Ų
CDK 2.12 · 2026-08-19
Molecular weight
395.492 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.964
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 · Ethaverine hydrochloride

  • Compound accumulation in C. elegans

    Dataset #4 · -5.4050515010832