Molecule card · MolClass #1982

Levocabastine hydrochloride

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

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: Levocabastine hydrochlorideFlucanozole Synergizer · compound_name
MolClass ID: 1982
InChIKey: ZCGOMHNNNFPNMX-KYTRFIICSA-N
Canonical SMILES: CC1CN(CCC1(C(=O)O)c2ccccc2)C3CCC(C#N)(CC3)c4ccc(F)cc4
Standard InChI: InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1
Stored Murcko scaffold: c1ccc(cc1)C2CCN(CC2)C3CCC(c4ccccc4)CC3

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.

Cl.CC1CN(CCC1(C(O)=O)c1ccccc1)C1CCC(CC1)(C#N)c1ccc(F)cc1#155126

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 64.33 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 420.52 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.031; 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 · Levocabastine hydrochloride