Molecule card · MolClass #1590

Mebhydroline 1,5-naphtalenedisulfonate

Mebhydroline 1,5-naphtalenedisulfonate: 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: Mebhydroline 1,5-naphtalenedisulfonateFlucanozole Synergizer · compound_name
MEBHYDROLIN NAPHTHALENESULFONATECompound accumulation in C. elegans · compound_name
MolClass ID: 1590
InChIKey: FQQIIPAOSKSOJM-UHFFFAOYSA-N
Canonical SMILES: CN1CCc4c(C1)c2ccccc2n4(Cc3ccccc3)
Standard InChI: InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
Stored Murcko scaffold: c1ccc(cc1)Cn2c3ccccc3c4c2CCNC4

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.

No other molecules currently have this stored scaffold.

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 8.17 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 276.376 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.027; 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 · Mebhydroline 1,5-naphtalenedisulfonate
Compound accumulation in C. elegans
Dataset #4 · 0.878687726823078