Molecule card · MolClass #1758

Dizocilpine maleate

Dizocilpine maleate: 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: Dizocilpine maleateFlucanozole Synergizer · compound_name
6420042P.falciparum Sensitivity · compound_name
MolClass ID: 1758
InChIKey: LBOJYSIDWZQNJS-CVEARBPZSA-N
Canonical SMILES: CC24(NC(Cc1ccccc12)c3ccccc34)
Standard InChI: InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
Stored Murcko scaffold: c1ccc2c(c1)CC3NC2c4ccccc43

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.

LOPAC 00344#734
(-)-MK 801 hydrogen maleate#2039
CC12NC(Cc3ccccc31)c1ccccc12.OC(=O)C=CC(O)=O#153755

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 0; CDK 2.12 · 2026-08-19
Topological polar surface area: 12.03 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 221.298 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.26; 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 · Dizocilpine maleate
P.falciparum Sensitivity
Dataset #8 · 6420042