Structure of molecule 1544

Molecule card · MolClass #1544

Morantel tartrate

Morantel tartrate: 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
Morantel tartrateFlucanozole Synergizer · compound_name
85273754Antifungal Pump Inhibitors · compound_name
11533033Mitochondrial Fusion · compound_name
MolClass ID
1544
InChIKey
NVEPPWDVLBMNMB-SNAWJCMRSA-N
Canonical SMILES
Cc2ccsc2(C=CC1=NCCCN1(C))
Standard InChI
InChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+
Stored Murcko scaffold
N1=C(C=Cc2sccc2)NCCC1

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
2
CDK 2.12 · 2026-08-19
Topological polar surface area
43.84 Ų
CDK 2.12 · 2026-08-19
Molecular weight
220.335 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.243
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 · Morantel tartrate

  • Antifungal Pump Inhibitors

    Dataset #18 · 85273754

  • Mitochondrial Fusion

    Dataset #19 · 11533033