Molecule card · MolClass #1676

Tolazoline hydrochloride

Tolazoline 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: Tolazoline hydrochlorideFlucanozole Synergizer · compound_name
TOLAZOLINE HYDROCHLORIDECompound accumulation in C. elegans · compound_name
MolClass ID: 1676
InChIKey: JIVZKJJQOZQXQB-UHFFFAOYSA-N
Canonical SMILES: c1ccc(cc1)CC2=NCCN2
Standard InChI: InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
Stored Murcko scaffold: N1=C(NCC1)Cc2ccccc2

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 00136#830
LOPAC 01297#1182
Cl.C1CN=C(Cc2ccccc2)N1#151979
Cl.Cc1cc(c(O)c(C)c1CC1NCCN=1)C(C)(C)C#153642
Cl.Cc1cc(cc(C)c1CC1NCCN=1)C(C)(C)C#154107

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 24.39 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 160.216 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.499; 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 · Tolazoline hydrochloride
Compound accumulation in C. elegans
Dataset #4 · -0.634635380939019